Organooxygen compounds
3',4'-Dichloroacetophenone, 98+%
CAS: 2642-63-9 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00000553 InChI Key: WBPAOUHWPONFEQ-UHFFFAOYSA-N Synonym: 3',4'-dichloroacetophenone,1-3,4-dichlorophenyl ethanone,3,4-dichloroacetophenone,1-3,4-dichlorophenyl ethan-1-one,ethanone, 1-3,4-dichlorophenyl,acetophenone, 3',4'-dichloro,1-acetyl-3,4-dichlorobenzene,3,4 dichloro acetophenone,pubchem3383,3,4-dicloroacetophenone PubChem CID: 75841 IUPAC Name: 1-(3,4-dichlorophenyl)ethanone SMILES: CC(=O)C1=CC=C(Cl)C(Cl)=C1
3-(4-Fluorobenzoyl)propionic acid, 97%
CAS: 366-77-8 Molecular Formula: C10H9FO3 Molecular Weight (g/mol): 196.177 MDL Number: MFCD00002793 InChI Key: WUYWHIAAQYQKPP-UHFFFAOYSA-N Synonym: 3-4-fluorobenzoyl propionic acid,4-4-fluorophenyl-4-oxobutanoic acid,3-4-fluorobenzoyl propanoic acid,haloperidol metabolite iii,unii-v2z6n6jc9z,beta-4-fluorobenzoyl propionic acid,v2z6n6jc9z,3-p-fluorobenzoyl propionic acid,4-4-fluoro-phenyl-4-oxo-butyric acid PubChem CID: 101359 IUPAC Name: 4-(4-fluorophenyl)-4-oxobutanoic acid SMILES: C1=CC(=CC=C1C(=O)CCC(=O)O)F
3,5-Dibromosalicylaldehyde, 98%
CAS: 90-59-5 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.915 MDL Number: MFCD00003318 InChI Key: JHZOXYGFQMROFJ-UHFFFAOYSA-N Synonym: 3,5-dibromosalicylaldehyde,dalyde,3,5-dibromosalicylaldeyde,benzaldehyde, 3,5-dibromo-2-hydroxy,2-hydroxy-3,5-dibromobenzaldehyde,3,5-dibromosilicylaldehyde,unii-7a260pbi3a,salicylaldehyde, 3,5-dibromo,3,5-dibromsalicylaldehyd,3,5-dibromo salicyclic aldehyde PubChem CID: 7024 IUPAC Name: 3,5-dibromo-2-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1Br)O)C=O)Br
4-Allyloxybenzaldehyde, 97%
CAS: 40663-68-1 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00014133 InChI Key: TYNJQOJWNMZQFZ-UHFFFAOYSA-N Synonym: 4-allyloxybenzaldehyde,4-allyloxy benzaldehyde,p-allyloxy benzaldehyde,p-allyloxybenzaldehyde,benzaldehyde, 4-2-propenyloxy,4-prop-2-en-1-yloxy benzaldehyde,4-prop-2-enyloxybenzaldehyde,4-allyloxybenzaldehyd,acmc-20ampt PubChem CID: 95942 IUPAC Name: 4-prop-2-enoxybenzaldehyde SMILES: C=CCOC1=CC=C(C=O)C=C1
3-Methylthiophene-2-carboxaldehyde, tech. 85%
CAS: 5834-16-2 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.173 MDL Number: MFCD00005430 InChI Key: BSQKBHXYEKVKMN-UHFFFAOYSA-N Synonym: 3-methyl-2-thiophenecarboxaldehyde,3-methylthiophene-2-carboxaldehyde,2-formyl-3-methylthiophene,3-methylthiophene-2-aldehyde,3-methyl-2-thiophenecarbaldehyde,3-methyl-2-formylthiophene,3-methyl-2-thiophene carboxaldehyde,2-thiophenecarboxaldehyde, 3-methyl,thiophenecarboxaldehyde, methyl,3-methyl-thiophene-2-carbaldehyde PubChem CID: 79911 IUPAC Name: 3-methylthiophene-2-carbaldehyde SMILES: CC1=C(SC=C1)C=O
2,3-Dimethoxybenzaldehyde, 98+%
CAS: 86-51-1 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00003309 InChI Key: JIVGSHFYXPRRSZ-UHFFFAOYSA-N Synonym: o-veratraldehyde,benzaldehyde, 2,3-dimethoxy,unii-8alp3sy00l,2,3-dimethoxy-benzaldehyde,8alp3sy00l,benzaldehyde,3-dimethoxy,dimethoxybenzaldehyde,pubchem8216,benzaldehyde, dimethoxy,upcmld00wstructure66 PubChem CID: 66581 IUPAC Name: 2,3-dimethoxybenzaldehyde SMILES: COC1=CC=CC(=C1OC)C=O
1,3-Cyclohexanediol, cis + trans, 98%
CAS: 504-01-8 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00039458 InChI Key: RLMGYIOTPQVQJR-UHFFFAOYSA-N Synonym: 1,3-cyclohexanediol,resorcitol,1,3-dihydroxycyclohexane,1,3-benzenediol, hexahydro,cis-1,3-cyclohexandiol,trans-1,3-cyclohexanediol,trans-1,3-cyclohexanol,1,3-cyclohexanediol,c&t,acmc-209ll9,acmc-209po7 PubChem CID: 10433 IUPAC Name: cyclohexane-1,3-diol SMILES: C1CC(CC(C1)O)O
2',4',6'-Trihydroxyacetophenone hydrate, 98+%
CAS: 480-66-0 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002287 InChI Key: XLEYFDVVXLMULC-UHFFFAOYSA-N Synonym: 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone PubChem CID: 68073 ChEBI: CHEBI:64344 IUPAC Name: 1-(2,4,6-trihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C=C(O)C=C1O
6-Ethoxy-2-mercaptobenzothiazole, 99%
CAS: 120-53-6 Molecular Formula: C9H9NOS2 Molecular Weight (g/mol): 211.297 MDL Number: MFCD00005782 InChI Key: HOASVNMVYBSLSU-UHFFFAOYSA-N Synonym: 6-ethoxy-2-mercaptobenzothiazole,6-ethoxybenzothiazole-2-thiol,2 3h-benzothiazolethione, 6-ethoxy,6-ethoxybenzothiazolethiol,usaf pd-58,6-ethoxy-2-benzothiazolethiol,6-ethoxybenzo d thiazole-2 3h-thione,6-ethoxy-1,3-benzothiazole-2-thiol,2-mercapto-6-ethoxybenzothiazole,2-benzothiazolethiol, 6-ethoxy PubChem CID: 719344 IUPAC Name: 6-ethoxy-3H-1,3-benzothiazole-2-thione SMILES: CCOC1=CC2=C(C=C1)NC(=S)S2
2,3-Hexanedione, 94%
CAS: 3848-24-6 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00009398 InChI Key: MWVFCEVNXHTDNF-UHFFFAOYSA-N Synonym: 2,3-hexanedione,acetylbutyryl,acetyl butyryl,methyl propyl diketone,butyryl acetyl,hexanedione,unii-559anr3nvs,2,3-hexandione,fema no. 2558,559anr3nvs PubChem CID: 19707 ChEBI: CHEBI:87583 IUPAC Name: hexane-2,3-dione SMILES: CCCC(=O)C(C)=O
1,2,4-Butanetriol, 96%, Thermo Scientific Chemicals
CAS: 3068-00-6 Molecular Formula: C4H10O3 Molecular Weight (g/mol): 106.121 MDL Number: MFCD00002929 InChI Key: ARXKVVRQIIOZGF-UHFFFAOYSA-N Synonym: 1,2,4-butanetriol,2-deoxyerythritol,1,3,4-butanetriol,triol 124,1,2,4-trihydroxybutane,1,2,4-butantriol,1,2,4-butantriol german,+/--1,2,4-butanetriol,2-deoxyerthritol,dialkylenethiourea PubChem CID: 18302 IUPAC Name: butane-1,2,4-triol SMILES: C(CO)C(CO)O
Ethyl benzoylacetate, 90+%
CAS: 94-02-0 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00009196 InChI Key: GKKZMYDNDDMXSE-UHFFFAOYSA-N Synonym: ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate PubChem CID: 7170 IUPAC Name: ethyl 3-oxo-3-phenylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1
trans-4-Decenal, 96%, may cont. ca 7% cis-isomer
CAS: 65405-70-1 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00065447 InChI Key: CWRKZMLUDFBPAO-VOTSOKGWSA-N Synonym: trans-4-decen-1-al,trans-4-decenal,e-4-decenal,e-dec-4-enal,4-decenal, e,4-decenal,unii-kz74b5801j,4-decene-1-al,dec-4-enal,fema no. 3264 PubChem CID: 5702654 IUPAC Name: (E)-dec-4-enal SMILES: CCCCCC=CCCC=O
2-(4-Methoxybenzoyl)thiophene, 97%
CAS: 4160-63-8 Molecular Formula: C12H10O2S Molecular Weight (g/mol): 218.27 MDL Number: MFCD00005440 InChI Key: KYVBFEMQEUXVQB-UHFFFAOYSA-N Synonym: 2-4-methoxybenzoyl thiophene,4-methoxyphenyl thiophen-2-yl methanone,2-p-methoxybenzoyl thiophene,p-anisyl thiophen-2-yl ketone,4-methoxyphenyl 2-thienyl ketone,methanone, 4-methoxyphenyl-2-thienyl,4-methoxyphenyl 2-thienyl methanone,pubchem10833,acmc-1aikh,2-thienyl p-anisyl ketone PubChem CID: 77812 IUPAC Name: (4-methoxyphenyl)-thiophen-2-ylmethanone SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=CS2
3-Butyn-2-one, 98%
CAS: 1423-60-5 Molecular Formula: C4H4O Molecular Weight (g/mol): 68.08 MDL Number: MFCD00008775 InChI Key: XRGPFNGLRSIPSA-UHFFFAOYSA-N Synonym: 3-butyn-2-one,1-butyn-3-one,methyl ethynyl ketone,acetylacetylene,butyn-2-one,acetylethyne,1-butyne-3-one,3-butyne-2-one,ethynyl methyl ketone,ch3coc#ch PubChem CID: 15018 ChEBI: CHEBI:48060 IUPAC Name: but-3-yn-2-one SMILES: CC(=O)C#C