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IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product Name1-ethanone 1-(O-acetyloxime)IUPAC Nameethylideneamino] acetateMolecular StructureCAS Registry Number 478556-66-0Synonyms478556-66-0Ethanone, 1--, 1-(O-acetyloxime)ethylideneamino] acetateSCHEMBL514041DTXSID50889185(e)-1-(((1-(9-ethyl-6-(2-methylbenzoyl)-9h-carbazol-3-yl)ethylidene)amino)oxy)ethan-1-oneDB-0158441-ethanone (O-acetyloxime)Molecular FormulaC26H24N2O3 Molecular Weight412.5InChIInChI=1S/C26H24N2O3/c1-5-28-24-12-10-19(17(3)27-31-18(4)29)14-22(24)23-15-20(11-13-25(23)28)26(30)21-9-7-6-8-16(21)2/h6-15H,5H2,1-4H3 InChI KeySEEVRZDUPHZSOX-UHFFFAOYSA-NIsomeric SMILESCCN1C2=C(C=C(C=C2)C(=NOC(=O)C)C)C3=C1C=CC(=C3)C(=O)C4=CC=CC=C4C Patent InformationPatent IDTitlePublication DateTW2023/34322Infrared absorbing composition, film, optical filter, solid-state imaging element, image display device, infrared sensor, and camera module2023TW2022/48363Composition, film, optical fi...

IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product Name1--1,2-octanedione 2-(O-benzoyloxime)IUPAC Nameamino] benzoateMolecular StructureCAS Registry Number 253585-83-0MDL NumberMFCD12911795Synonyms253585-83-01,2-Octanedione, 1-(4-(phenylthio)phenyl)-, 2-(O-benzoyloxime)1,2-Octanedione, 1--, 2-(O-benzoyloxime)amino] benzoate1--1,2-octanedione 2-(O-benzoyloxime)amino] benzoateDTXSID1074969SB66345NS00077818(Z)-{1-OXO-1-OCTAN-2-YLIDENE}AMINO BENZOATEMolecular FormulaC27H27NO3S Molecular Weight445.6InChIInChI=1S/C27H27NO3S/c1-2-3-4-11-16-25(28-31-27(30)22-12-7-5-8-13-22)26(29)21-17-19-24(20-18-21)32-23-14-9-6-10-15-23/h5-10,12-15,17-20H,2-4,11,16H2,1H3InChI KeyLOCXTTRLSIDGPS-UHFFFAOYSA-NIsomeric SMILESCCCCCCC(=NOC(=O)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3 Patent InformationPatent IDTitlePublication DateTW2023/34322Infrared absorbing composition, film, optical filter, solid-state imaging element, image display device, infrared s...

IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameSelenium sulfideMolecular StructureCAS Registry Number 7488-56-4EINECS Number231-303-8MDL NumberMFCD00MFCD00011227SynonymsSelenium disulfide7488-56-4Selenium disulphideSelenium(IV) disulfideSelenium(IV) sulfideSeledruffSelenium sulfide, micronizedSelenium sulphide, micronizedSelenium(IV) sulphideSelenium(IV) disulphideSelenium sulfide (USP)Selenium sulfide Selenium sulphide (ses2)Selsun BlueSelenium sulfide (ses(sub 2))Z69D9E381QSebusanSelenexSelenixSelukosLeniumSeleenSulfur selenideZeranSul-BlueSel-O-RinseSelenium sulfide (SeS2)Selen(IV) sulfidSelenium sulfide SeS2Caswell No. 732ASelendisulfidTersiSelenii disulfidumHSDB 6367Selenium(IV) Disulfide (1:2)EINECS 231-303-8UN2657RCRA waste no. U205EPA Pesticide Chemical Code 072003UNII-Z69D9E381QExsel (TN)SELENIUM DISULFIDE SELENIUM SULFIDE CHEMBL1200680DTXSID0042375SELENIUM SULFIDE SELENIUM DISULFIDE SELENIUM SULFIDE CHEBI:135...

IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NamePROCYANIDIN C1IUPAC Name(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4--8--3,4-dihydro-2H-chromene-3,5,7-triolMolecular StructureCAS Registry Number 37064-30-5SynonymsProcyanidin C137064-30-5Procyanidol C1Proanthocyanidin C1Cinnamtannin A1Procyanidin trimer C1(2R,2'R,2''R,3R,3'R,3''R,4R,4'S)-2,2',2''-Tris(3,4-dihydroxyphenyl)--3,3',3'',5,5',5'',7,7',7''-nonaolUNII-33516LCW4FCHEBI:7564333516LCW4FEC-(4b,8)-EC-(4b,8)-ECCHEMBL290632(2r,2'r,2''r,3r,3'r,3''r,4r,4's)-2,2',2''-tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2h,2'h,2''h-4,8':4',8''-terchromene-3,3',3'',5,5',5'',7,7',7''-nonolEpicatechin-(4beta->8)-epicatechin-(4beta->8)-epicatechinPROCYANIDIN C1, (+)-DTXSID101905...

IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product Namemeso-Tetratolylporphyrin-Fe(III)chloride CAS#: 19496-18-5IUPAC NameMolecular StructureCAS Registry Number 19496-18-5Synonyms21H,23H-Porphine, 5,10,15,20-tetrakis(4-methylphenyl)-, iron(3+) salt, hydrochloride (1:1:1) Chlorure 5,10,15,20-tétrakis(4-méthylphényl)porphine-21,23-diide de fer(3+) (1:1:1) Eisen(3+)chlorid-5,10,15,20-tetrakis(4-methylphenyl)porphin-21,23-diid (1:1:1) Iron(3+) chloride 5,10,15,20-tetrakis(4-methylphenyl)porphine-21,23-diide (1:1:1) 19496-18-5 5,10,15,20-Tetra(4-methylphenyl)-21H,23H-porphine iron(III) chlorideMESO-TETRATOLYLPORPHYRIN-FE(III)CHLORIDEMolecular FormulaC48H36ClFeN4Molecular Weight760.124 Physical Data AppearanceDark blue or purple solid crystals Melting Point, °C Solvent (Melting Point) 300dichloromethane Spectra Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Sp...

IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameIRON (III) MESO-TETRAPHENYLPORPHINE-MU-OXO DIMERIUPAC Nameiron(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide;hydrateMolecular StructureCAS Registry Number 12582-61-5Synonyms12582-61-5IRON (III) MESO-TETRAPHENYLPORPHINE-MU-OXO DIMERIron(III) meso-tetraphenylporphine-mu-oxo dimerMeso-5,10,15,20-Tetraphenyl-21H,23H-porphineironu-oxodimeriron(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide;hydrateMFCD00058898AKOS015911269Iron,m-oxobisdi-2,7,12,17-tetraphenyl-22-({2,7,12,17-tetraphenyl-21,23,24,25-tetraaza-22-ferrahexacyclopentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-22-yl}oxy)-21,23,24,25-tetraaza-22-ferrahexacyclopentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaeneMolecular FormulaC88H58Fe2N8OMolecular Weight1355.1InChIInChI=1S/2C44H28N4.2Fe.H2O/c2*1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48...

IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NamePX oxidation catalystMolecular StructureCAS Registry Number WATHL004 Physical Data AppearancePurple powder solidMetalloporphyrin content98% minReaction solventPX Spectra No data available Route of Synthesis (ROS) No data available Safety and Hazards GHS Hazard StatementsNot Classified Other Data TransportationUnder room temperature long time and away from light.HS CodeStorageUnder room temperature long time and away from light.Shelf Life1 yearMarket Price Use PatternPX oxidation catalyst CAS#: WATHL004 is used for air oxidation of PX to terephthalic acid. https://www.chemwhat.com/px-oxidation-catalyst-cas-wathl004/

IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameAdipic acid production catalystMolecular StructureCAS Registry Number WATHL002 Physical Data No data available Spectra No data available Route of Synthesis (ROS) No data available Safety and Hazards GHS Hazard StatementsNot Classified Other Data TransportationUnder the room temperature and away from lightHS CodeStorageUnder the room temperature and away from lightShelf LifeMarket Price Use Pattern https://www.chemwhat.com/adipic-acid-production-catalyst-cas-wathl002/

IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameKA oil production catalystMolecular StructureCAS Registry Number WATHL001InChINo data availableInChI KeyNo data availableCanonical SMILESNo data available Physical Data AppearancePurple powder solidMetalloporphyrin content98% minReaction solventAir Sensitive & Hygroscyclohexane Spectra No data available Route of Synthesis (ROS) No data available Safety and Hazards GHS Hazard StatementsNot Classified Other Data TransportationUnder the room temperature and away from lightHS CodeStorageUnder the room temperature and away from lightShelf Life1 yearMarket Price Use PatternKA oil production catalyst CAS WATHL001 is used for air oxidation of cyclohexane to KA oil https://www.chemwhat.com/ka-oil-production-catalyst-cas-wathl001/

IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameCobalt tetramethoxyphenylporphyrinIUPAC NameMolecular StructureCAS Registry Number 28903-71-1EINECS NumberNo data availableMDL NumberMFCD00010724Beilstein Registry NumberNo data availableSynonyms5,10,15,20-tetrakis(4-pyridyl)porphyrin zinc(II)zinc-5,10,15,20-tetrakis(N-methylpyridinium-4-yl)porphyrinzinc(II) 5,10,15,20-tetra(4-pyridyl)-21H,23H-porphinezinc 5,10,15,20-tetra(4-pyridinyl)-21H,23H-porphyrin5,10,15,20-tetrakis(4'-pyridyl) zinc(II) porphyrin5,10,15,20-tetrakis(4-pyridinium)porphyrinato zincMolecular FormulaC48H36CoN4O4Molecular Weight791.757InChIInChI=1S/C48H36N4O4.Co/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31;/h5-28H,1-4H3;/q-2;+2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-;InChI KeyQBCIMRXPMLWVML-NHZJR...

IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product Name5-HEXEN-1-OLIUPAC Namehex-5-en-1-olMolecular StructureCAS Registry Number 821-41-0EINECS Number212-477-4Beilstein Registry Number1236458Synonyms5-Hexen-1-ol821-41-0Hex-5-en-1-ol1-Hexen-6-ol5-Hexenol5-Hexene-1-olMFCD0000298157PD1RF6G75-Hexen-1-ol, 98%UNII-57PD1RF6G75-hexanolEINECS 212-477-46-hydroxy-1-hexenehex-1-en-6-olAI3-347975-HEXENOL 1-HEXENE-6-OLSCHEMBL41920HO(CH2)4CH=CH2DTXSID2074950FEMA NO. 4351BCP03575BBL102594STL556397AKOS009156957CS-W013711HY-W012995BP-31163MS-20464SY020861AM20100796H0653NS00022817EN300-98901A840257Q-200543Q27261513InChI=1/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6HMolecular FormulaC6H12OMolecular Weight100.16InChIInChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2InChI KeyUIZVMOZAXAMASY-UHFFFAOYSA-NIsomeric SMILESC=CCCCCO Patent InformationPatent IDTitlePublication DateCN117586106Method for synthesizing alkyl aryl ether2024US2021/47254METHOD FOR CONVERTING HYDR...

IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameDextranIUPAC Name2,3,4,5-tetrahydroxy-6-oxymethyl]oxan-2-yl]oxyhexanalMolecular StructureCAS Registry Number 9004-54-0EINECS Number232-677-5MDL NumberMFCD00132771SynonymsDEXTRAN9004-54-0Dextran 40Macrodex2,3,4,5-tetrahydroxy-6-oxymethyl]oxan-2-yl]oxyhexanalHexopyranosyl-(1->6)hexopyranosyl-(1->6)hexoseDextran 706-O-(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-D-glucose13382-86-0MediumDextran T40Dextran-500kdSEPHADEX G-50Dextran (MW 70000)Dextran (Mw 150000)SCHEMBL12557981DTXSID00864149FZWBNHMXJMCXLU-UHFFFAOYSA-N(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-oxymethyl]oxan-2-yl]oxyhexanalBCP13568AKOS015915689D1448D1449DEX 500; Detrax 40; Dextranen; DextravenG726252,3,4,5-tetrahydroxy-6-((3,4,5-trihydroxy-6-(((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)hexanalMolecular FormulaC18H32O16Molecular Weight504.4InChIInChI=1S...

IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product Name3-(Bromomethyl)-1,1-difluorocyclobutaneIUPAC Name3-(bromomethyl)-1,1-difluorocyclobutaneMolecular StructureCAS Registry Number 1252934-30-7Synonyms3-(BROMOMETHYL)-1,1-DIFLUOROCYCLOBUTANE1252934-30-7MFCD17170416Cyclobutane, 3-(bromomethyl)-1,1-difluoro-3-Bromomethyl-1,1-difluoro-cyclobutaneC5H7BrF2SCHEMBL17205238DTXSID10697102CAVNVGJESLKKME-UHFFFAOYSA-NBBL102056STL555855AKOS016001782SB11110AM803119AS-33911SY042293CS-0038314EN300-226423A854701F2147-2742Molecular FormulaC5H7BrF2 Molecular Weight185.01InChIInChI=1S/C5H7BrF2/c6-3-4-1-5(7,8)2-4/h4H,1-3H2InChI KeyCAVNVGJESLKKME-UHFFFAOYSA-N Isomeric SMILESC1C(CC1(F)F)CBr Physical Data AppearanceColorless liquid Spectra Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHzChemical shifts1Hdimethylsulfoxide-d6, tetrachloromethane400 Route of Synthesis (ROS) Route of Sy...

IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NamePro-xylaneIUPAC Name(2S,3R,4S,5R)-2-(2-hydroxypropyl)oxane-3,4,5-triol Molecular StructureCAS Registry Number 439685-79-7SynonymsPro-xylane439685-79-7Hydroxypropyl tetrahydropyrantriolMexoryl SBBPro-xylane (pharmaceutical)(2S,3R,4S,5R)-2-(2-hydroxypropyl)tetrahydro-2H-pyran-3,4,5-triol4U3GMG1OT1(2S,3R,4S,5R)-2-(2-hydroxypropyl)oxane-3,4,5-triolUNII-4U3GMG1OT1CHEMBL479843SCHEMBL1660373L-Gluco-octitol, 1,5-anhydro-6,8-dideoxy-, (7XI)-DTXSID10196004WLZ2819KOGFZZYPPGQZFZ-QVAPDBTGSA-NER4017AKOS040742450DB13121ER-4017c-beta-d-xylopyranoside-2-hydroxypropaneTS-08006HY-108036CS-0027204HYDROXYPROPYL TETRAHYDROPYRANTRIOL pro-xylane pound>>Hydroxypropyl tetrahydropyrantriolNano Liposomal HYDROXYPROPYL TETRAHYDROPYRANTRIOLQ27260499(2S,3R,4S,5R)-2-(2-hydroxypropyl)oxane-3,4,5-trioL-GLUCO-OCTITOL, 1,5-ANHYDRO-6,8-DIDEOXY-, (7.XI.)-Molecular FormulaC8H16O5 Molecular Weight192.21InC...

IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product Name(S)-Pro-xylaneIUPAC NameMolecular Structure CAS Registry Number 868156-46-1EINECS NumberMDL NumberMFCD32701904Beilstein Registry NumberSynonymsMolecular FormulaC8H16O5Molecular Weight192.210InChIInChI KeyCanonical SMILES Patent InformationPatent IDTitlePublication DateUS2005/250708Novel C-glycosides, uses thereof2005 Physical Data AppearanceSolid Melting Point, °C 120 - 122 Spectra Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Chemical shifts, Spectrum1Hwater-d2Chemical shifts, Spectrum13Cwater-d2Chemical shifts1HChemical shifts13CChemical shifts1HCD3OD Route of Synthesis (ROS) Route of Synthesis (ROS) of (S)-Pro-xylane CAS# 868156-46-1 ConditionsYieldWith sodium tris(acetoxy)borohydride In isopropyl alcohol at 20℃; Product distribution / selectivity;Experimental Procedure2 Production of C-β-D-xylopyranoside-2-(S)-hydroxypropaneEXAMPLE ...

IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product Name2PACzIUPAC Name2-carbazol-9-ylethylphosphonic acidMolecular StructureCAS Registry Number 20999-38-6EINECS NumberMDL NumberBeilstein Registry NumberSynonyms2PACz20999-38-6(2-(9H-Carbazol-9-yl)ethyl)phosphonic acid2-carbazol-9-ylethylphosphonic acidphosphonic acidSCHEMBL25193015MFCD326618682-(carbazol-9-yl)ethylphosphonic acidSB66277C3663CS-0373792F88683Phosphonic acid, (2-carbazol-9-ylethyl)- (8CI)Molecular FormulaC14H14NO3PMolecular Weight275.24InChI InChI=1S/C14H14NO3P/c16-19(17,18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8H,9-10H2,(H2,16,17,18)InChI KeyKIMPAVBWSFLENS-UHFFFAOYSA-NIsomeric SMILESC1=CC=C2C(=C1)C3=CC=CC=C3N2CCP(=O)(O)O Patent InformationPatent IDTitlePublication DateWO2023/226000ORGANIC COMPOUND AND USE THEREOF, PASSIVATION FILM, SOLAR CELL AND ELECTRONIC DEVICE2023 Physical Data AppearanceWhite to blue powder to crystalline Spectra Description (NMR S...

IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product Name32,4-Dichlorobenzenediazonium 1,5-naphthalenedisulfonate hydrate CAS#: 123333-91-5Molecular StructureCAS Registry Number 123333-91-5MDL NumberMFCD08457580SynonymsMolecular FormulaC16H12Cl2N2O7S2Molecular Weight479.312InChIInChI KeyCanonical SMILES Physical Data AppearanceFaint Yellow to Yellow to Beige and Faint Brown to Light Brown to Light Orange powder Spectra No data available Route of Synthesis (ROS) No data available Safety and Hazards GHS Hazard StatementsNot Classified Other Data TransportationHS CodeStorageStore at 2~8° for long time.Shelf LifeMarket Price Use Pattern2,4-Dichlorobenzenediazonium 1,5-naphthalenedisulfonate hydrate CAS 123333-91-5 is used a intermediates. 1,5-Naphthalenedisulfonic acid salt hydrate is a coordination compound commonly used as a reagent or intermediate in organic synthesis. It can be employed in the synthesis of pharmaceuticals, dyes,...

AI-Chemist

About AI-Chemist Program The purpose of the program The AI-Chemist Program by ChemWhat aims to integrate existing AI model technologies, the ChemWhat database, and online resources to provide accurate, comprehensive and reliable information on chemicals and biologicals for chemical and biological research and development engineers and other professionals in these two fields. This information includes: - Identification information of chemicals and biologicals - Physical and chemical properties - Manufacturing process - Safety and hazard information - Transportation and storage information Applications and directions for use - Translate intricate knowledge about chemistry or biology, experiments, and reactions into easy-to-understand information - More... Progress of the program Currently, our version 1.0 of the AI-Chemist Program has been launched on Telegram (Details on how to use it will be provided in the next section) - To test and develop version 2.0, we have initiated a more vers...