Organic compounds
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3-Bromo-4-fluorophenol 99.0+%, TCI America™
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CAS: 27407-11-0 Molecular Formula: C6H4BrFO Molecular Weight (g/mol): 190.999 MDL Number: MFCD03425884 InChI Key: QWTULQLVGNZMLF-UHFFFAOYSA-N Synonym: 3-bromo-4-fluoro-phenol,phenol, 3-bromo-4-fluoro,pubchem1486,acmc-1cmha,ksc201s9b,3-bromanyl-4-fluoranyl-phenol PubChem CID: 2783381 IUPAC Name: 3-bromo-4-fluorophenol SMILES: C1=CC(=C(C=C1O)Br)F
| PubChem CID | 2783381 |
|---|---|
| CAS | 27407-11-0 |
| Molecular Weight (g/mol) | 190.999 |
| MDL Number | MFCD03425884 |
| SMILES | C1=CC(=C(C=C1O)Br)F |
| Synonym | 3-bromo-4-fluoro-phenol,phenol, 3-bromo-4-fluoro,pubchem1486,acmc-1cmha,ksc201s9b,3-bromanyl-4-fluoranyl-phenol |
| IUPAC Name | 3-bromo-4-fluorophenol |
| InChI Key | QWTULQLVGNZMLF-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrFO |
4-(4-Aminophenyl)thiomorpholine 1,1-Dioxide 98.0+%, TCI America™
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CAS: 105297-10-7 Molecular Formula: C10H14N2O2S Molecular Weight (g/mol): 226.29 MDL Number: MFCD06797046 InChI Key: PLQZCPNIYKUNPR-UHFFFAOYSA-N PubChem CID: 26370384 IUPAC Name: 4-(4-aminophenyl)-1λ⁶-thiomorpholine-1,1-dione SMILES: NC1=CC=C(C=C1)N1CCS(=O)(=O)CC1
| PubChem CID | 26370384 |
|---|---|
| CAS | 105297-10-7 |
| Molecular Weight (g/mol) | 226.29 |
| MDL Number | MFCD06797046 |
| SMILES | NC1=CC=C(C=C1)N1CCS(=O)(=O)CC1 |
| IUPAC Name | 4-(4-aminophenyl)-1λ⁶-thiomorpholine-1,1-dione |
| InChI Key | PLQZCPNIYKUNPR-UHFFFAOYSA-N |
| Molecular Formula | C10H14N2O2S |
2-Amino-5-phenylpyridine 98.0+%, TCI America™
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CAS: 33421-40-8 Molecular Formula: C11H10N2 Molecular Weight (g/mol): 170.22 MDL Number: MFCD01692452 InChI Key: OAPVIBHQRYFYSE-UHFFFAOYSA-N Synonym: 2-amino-5-phenylpyridine,5-phenyl-2-pyridinamine,2-pyridinamine, 5-phenyl,phe-p-1,5-phenyl-pyridin-2-ylamine,5-phenylpyridin-2-ylamine,2-amino-5-phenyl pyridine,pyridine, 2-amino-5-phenyl,acmc-1adxr,5-phenyl-2-pyridylamine PubChem CID: 105097 IUPAC Name: 5-phenylpyridin-2-amine SMILES: NC1=CC=C(C=N1)C1=CC=CC=C1
| PubChem CID | 105097 |
|---|---|
| CAS | 33421-40-8 |
| Molecular Weight (g/mol) | 170.22 |
| MDL Number | MFCD01692452 |
| SMILES | NC1=CC=C(C=N1)C1=CC=CC=C1 |
| Synonym | 2-amino-5-phenylpyridine,5-phenyl-2-pyridinamine,2-pyridinamine, 5-phenyl,phe-p-1,5-phenyl-pyridin-2-ylamine,5-phenylpyridin-2-ylamine,2-amino-5-phenyl pyridine,pyridine, 2-amino-5-phenyl,acmc-1adxr,5-phenyl-2-pyridylamine |
| IUPAC Name | 5-phenylpyridin-2-amine |
| InChI Key | OAPVIBHQRYFYSE-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2 |
4-Ethylanisole 98.0+%, TCI America™
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CAS: 1515-95-3 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00015176 InChI Key: HDNRAPAFJLXKBV-UHFFFAOYSA-N Synonym: 4-ethylanisole,p-ethylanisole,benzene, 1-ethyl-4-methoxy,anisole, p-ethyl,p-ethylanisol,unii-i71p5qg20s,4-ethyl-1-methoxybenzene,4-ethyl anisole,4-ethylmethoxybenzene,acmc-1btzv PubChem CID: 73690 IUPAC Name: 1-ethyl-4-methoxybenzene SMILES: CCC1=CC=C(C=C1)OC
| PubChem CID | 73690 |
|---|---|
| CAS | 1515-95-3 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00015176 |
| SMILES | CCC1=CC=C(C=C1)OC |
| Synonym | 4-ethylanisole,p-ethylanisole,benzene, 1-ethyl-4-methoxy,anisole, p-ethyl,p-ethylanisol,unii-i71p5qg20s,4-ethyl-1-methoxybenzene,4-ethyl anisole,4-ethylmethoxybenzene,acmc-1btzv |
| IUPAC Name | 1-ethyl-4-methoxybenzene |
| InChI Key | HDNRAPAFJLXKBV-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
2-(Aminomethyl)-1,3-dioxolane 98.0+%, TCI America™
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CAS: 4388-97-0 Molecular Formula: C4H9NO2 Molecular Weight (g/mol): 103.121 MDL Number: MFCD00142862 InChI Key: QXXRLUXAOFVOTE-UHFFFAOYSA-N PubChem CID: 10855394 IUPAC Name: 1,3-dioxolan-2-ylmethanamine SMILES: C1COC(O1)CN
| PubChem CID | 10855394 |
|---|---|
| CAS | 4388-97-0 |
| Molecular Weight (g/mol) | 103.121 |
| MDL Number | MFCD00142862 |
| SMILES | C1COC(O1)CN |
| IUPAC Name | 1,3-dioxolan-2-ylmethanamine |
| InChI Key | QXXRLUXAOFVOTE-UHFFFAOYSA-N |
| Molecular Formula | C4H9NO2 |
2-Bromobutyryl Chloride 98.0+%, TCI America™
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CAS: 22118-12-3 Molecular Formula: C4H6BrClO Molecular Weight (g/mol): 185.445 MDL Number: MFCD00055269 InChI Key: DROZQELYZZXYSX-UHFFFAOYSA-N PubChem CID: 90734 IUPAC Name: 2-bromobutanoyl chloride SMILES: CCC(C(=O)Cl)Br
| PubChem CID | 90734 |
|---|---|
| CAS | 22118-12-3 |
| Molecular Weight (g/mol) | 185.445 |
| MDL Number | MFCD00055269 |
| SMILES | CCC(C(=O)Cl)Br |
| IUPAC Name | 2-bromobutanoyl chloride |
| InChI Key | DROZQELYZZXYSX-UHFFFAOYSA-N |
| Molecular Formula | C4H6BrClO |
3-Benzylrhodanine 98.0+%, TCI America™
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CAS: 10574-69-3 Molecular Formula: C10H9NOS2 Molecular Weight (g/mol): 223.308 MDL Number: MFCD00086924 InChI Key: ZFHVUMCTGGAWBM-UHFFFAOYSA-N Synonym: 3-Benzyl-2-thioxo-4-thiazolidinone PubChem CID: 97673 IUPAC Name: 3-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one SMILES: C1C(=O)N(C(=S)S1)CC2=CC=CC=C2
| PubChem CID | 97673 |
|---|---|
| CAS | 10574-69-3 |
| Molecular Weight (g/mol) | 223.308 |
| MDL Number | MFCD00086924 |
| SMILES | C1C(=O)N(C(=S)S1)CC2=CC=CC=C2 |
| Synonym | 3-Benzyl-2-thioxo-4-thiazolidinone |
| IUPAC Name | 3-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI Key | ZFHVUMCTGGAWBM-UHFFFAOYSA-N |
| Molecular Formula | C10H9NOS2 |
2-Acetoxyisobutyryl Chloride 97.0+%, TCI America™
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CAS: 40635-66-3 Molecular Formula: C6H9ClO3 Molecular Weight (g/mol): 164.585 MDL Number: MFCD00000708 InChI Key: RBTCRFLJLUNCLL-UHFFFAOYSA-N Synonym: 2-acetoxyisobutyryl chloride,1-chlorocarbonyl-1-methylethyl acetate,2-acetoxy-2-methylpropionyl chloride,propanoyl chloride, 2-acetyloxy-2-methyl,2-acetoxyisobutyroyl chloride,2-chloro-1,1-dimethyl-2-oxoethyl acetate,acmc-1an8z,2-acetoxyisobutyrylchloride,acetoxyisobutyric acid chloride,acetoxy-iso-butyrylchloride PubChem CID: 123496 IUPAC Name: (1-chloro-2-methyl-1-oxopropan-2-yl) acetate SMILES: CC(=O)OC(C)(C)C(=O)Cl
| PubChem CID | 123496 |
|---|---|
| CAS | 40635-66-3 |
| Molecular Weight (g/mol) | 164.585 |
| MDL Number | MFCD00000708 |
| SMILES | CC(=O)OC(C)(C)C(=O)Cl |
| Synonym | 2-acetoxyisobutyryl chloride,1-chlorocarbonyl-1-methylethyl acetate,2-acetoxy-2-methylpropionyl chloride,propanoyl chloride, 2-acetyloxy-2-methyl,2-acetoxyisobutyroyl chloride,2-chloro-1,1-dimethyl-2-oxoethyl acetate,acmc-1an8z,2-acetoxyisobutyrylchloride,acetoxyisobutyric acid chloride,acetoxy-iso-butyrylchloride |
| IUPAC Name | (1-chloro-2-methyl-1-oxopropan-2-yl) acetate |
| InChI Key | RBTCRFLJLUNCLL-UHFFFAOYSA-N |
| Molecular Formula | C6H9ClO3 |
Norcantharidin 98.0+%, TCI America™
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CAS: 29745-04-8 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00213361 InChI Key: JAABVEXCGCXWRR-GUCUJZIJSA-N Synonym: exo-3,6-Epoxyhexahydrophthalic Anhydride, exo-7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic Anhydride PubChem CID: 12251906 SMILES: C1CC2C3C(C1O2)C(=O)OC3=O
| PubChem CID | 12251906 |
|---|---|
| CAS | 29745-04-8 |
| Molecular Weight (g/mol) | 168.148 |
| MDL Number | MFCD00213361 |
| SMILES | C1CC2C3C(C1O2)C(=O)OC3=O |
| Synonym | exo-3,6-Epoxyhexahydrophthalic Anhydride, exo-7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic Anhydride |
| InChI Key | JAABVEXCGCXWRR-GUCUJZIJSA-N |
| Molecular Formula | C8H8O4 |
2,6-Dichlorocinnamic Acid 98.0+%, TCI America™
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CAS: 5345-89-1 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.05 MDL Number: MFCD00004374 InChI Key: OIPVGRCXMFBNAN-SNAWJCMRSA-N Synonym: 2,6-dichlorocinnamic acid,3-2,6-dichlorophenyl acrylic acid,e-3-2,6-dichlorophenyl acrylic acid,2e-3-2,6-dichlorophenyl prop-2-enoic acid,2e-3-2,6-dichlorophenyl acrylic acid,2-propenoic acid, 3-2,6-dichlorophenyl,3-2,6-dichlorophenyl-2-propenoic acid,cinnamic acid, 2,6-dichloro-6ci,7ci,3-2,6-dichlorophenyl propenoic acid,2,6-dichlorocinnamic acid, predominantly trans PubChem CID: 731762 IUPAC Name: (2E)-3-(2,6-dichlorophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=C(Cl)C=CC=C1Cl
| PubChem CID | 731762 |
|---|---|
| CAS | 5345-89-1 |
| Molecular Weight (g/mol) | 217.05 |
| MDL Number | MFCD00004374 |
| SMILES | OC(=O)\C=C\C1=C(Cl)C=CC=C1Cl |
| Synonym | 2,6-dichlorocinnamic acid,3-2,6-dichlorophenyl acrylic acid,e-3-2,6-dichlorophenyl acrylic acid,2e-3-2,6-dichlorophenyl prop-2-enoic acid,2e-3-2,6-dichlorophenyl acrylic acid,2-propenoic acid, 3-2,6-dichlorophenyl,3-2,6-dichlorophenyl-2-propenoic acid,cinnamic acid, 2,6-dichloro-6ci,7ci,3-2,6-dichlorophenyl propenoic acid,2,6-dichlorocinnamic acid, predominantly trans |
| IUPAC Name | (2E)-3-(2,6-dichlorophenyl)prop-2-enoic acid |
| InChI Key | OIPVGRCXMFBNAN-SNAWJCMRSA-N |
| Molecular Formula | C9H6Cl2O2 |
3-Hydroxy-2-methyl-4-pyrone 99.0+%, TCI America™
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CAS: 118-71-8 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00006578 InChI Key: XPCTZQVDEJYUGT-UHFFFAOYSA-N Synonym: maltol,3-hydroxy-2-methyl-4-pyrone,3-hydroxy-2-methyl-4h-pyran-4-one,larixinic acid,talmon,palatone,vetol,larixic acid,corps praline,4h-pyran-4-one, 3-hydroxy-2-methyl PubChem CID: 8369 ChEBI: CHEBI:69438 IUPAC Name: 3-hydroxy-2-methyl-4H-pyran-4-one SMILES: CC1=C(O)C(=O)C=CO1
| PubChem CID | 8369 |
|---|---|
| CAS | 118-71-8 |
| Molecular Weight (g/mol) | 126.11 |
| ChEBI | CHEBI:69438 |
| MDL Number | MFCD00006578 |
| SMILES | CC1=C(O)C(=O)C=CO1 |
| Synonym | maltol,3-hydroxy-2-methyl-4-pyrone,3-hydroxy-2-methyl-4h-pyran-4-one,larixinic acid,talmon,palatone,vetol,larixic acid,corps praline,4h-pyran-4-one, 3-hydroxy-2-methyl |
| IUPAC Name | 3-hydroxy-2-methyl-4H-pyran-4-one |
| InChI Key | XPCTZQVDEJYUGT-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
Paclobutrazol 98.0+%, TCI America™
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CAS: 76738-62-0 Molecular Formula: C15H20ClN3O Molecular Weight (g/mol): 293.795 MDL Number: MFCD01678673 InChI Key: RMOGWMIKYWRTKW-LSLKUGRBSA-N Synonym: paclobutrazol,2s-1-4-chlorophenyl-4,4-dimethyl-2-1,2,4-triazol-1-yl-3-pentanol,2s-1-4-chlorophenyl-4,4-dimethyl-2-1,2,4-triazol-1-yl pentan-3-ol PubChem CID: 53297383 IUPAC Name: (2S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol SMILES: CC(C)(C)C(C(CC1=CC=C(C=C1)Cl)N2C=NC=N2)O
| PubChem CID | 53297383 |
|---|---|
| CAS | 76738-62-0 |
| Molecular Weight (g/mol) | 293.795 |
| MDL Number | MFCD01678673 |
| SMILES | CC(C)(C)C(C(CC1=CC=C(C=C1)Cl)N2C=NC=N2)O |
| Synonym | paclobutrazol,2s-1-4-chlorophenyl-4,4-dimethyl-2-1,2,4-triazol-1-yl-3-pentanol,2s-1-4-chlorophenyl-4,4-dimethyl-2-1,2,4-triazol-1-yl pentan-3-ol |
| IUPAC Name | (2S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol |
| InChI Key | RMOGWMIKYWRTKW-LSLKUGRBSA-N |
| Molecular Formula | C15H20ClN3O |
trans,trans-4-(4-Methylphenyl)-4'-vinylbicyclohexyl 98.0+%, TCI America™
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CAS: 155041-85-3 Molecular Formula: C21H30 Molecular Weight (g/mol): 282.471 MDL Number: MFCD12911573 InChI Key: BCUMFFLWJNKNOU-UHFFFAOYSA-N Synonym: trans,trans-4-p-tolyl-4'-vinyl-1,1'-bi cyclohexane,trans,trans-4-p-tolyl-4'-vinyl-bicyclohexyl,1-trans,trans-4'-ethenyl 1,1'-bicyclohexyl-4-yl-4-methylbenzene,trans,trans-4-4-methylphenyl-4'-vinylbicyclohexyl,1-4-4-ethenylcyclohexyl cyclohexyl-4-methylbenzene,ccp-v 1,bcumfflwjnknou-ysxiemcbsa-n,4-p-tolyl-4'-vinylbi cyclohexane,trans-4-p-tolyl-trans-4'-vinylbicyclohexyl,trans,trans-4-p-tolyl-4'-vinylbicyclohexyl PubChem CID: 20580010 IUPAC Name: 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene SMILES: CC1=CC=C(C=C1)C2CCC(CC2)C3CCC(CC3)C=C
| PubChem CID | 20580010 |
|---|---|
| CAS | 155041-85-3 |
| Molecular Weight (g/mol) | 282.471 |
| MDL Number | MFCD12911573 |
| SMILES | CC1=CC=C(C=C1)C2CCC(CC2)C3CCC(CC3)C=C |
| Synonym | trans,trans-4-p-tolyl-4'-vinyl-1,1'-bi cyclohexane,trans,trans-4-p-tolyl-4'-vinyl-bicyclohexyl,1-trans,trans-4'-ethenyl 1,1'-bicyclohexyl-4-yl-4-methylbenzene,trans,trans-4-4-methylphenyl-4'-vinylbicyclohexyl,1-4-4-ethenylcyclohexyl cyclohexyl-4-methylbenzene,ccp-v 1,bcumfflwjnknou-ysxiemcbsa-n,4-p-tolyl-4'-vinylbi cyclohexane,trans-4-p-tolyl-trans-4'-vinylbicyclohexyl,trans,trans-4-p-tolyl-4'-vinylbicyclohexyl |
| IUPAC Name | 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene |
| InChI Key | BCUMFFLWJNKNOU-UHFFFAOYSA-N |
| Molecular Formula | C21H30 |
2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane 98.0+%, TCI America™
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CAS: 828-26-2 Molecular Formula: C9H18S3 Molecular Weight (g/mol): 222.42 MDL Number: MFCD00066341 InChI Key: NBNWHQAWKFYFKI-UHFFFAOYSA-N Synonym: trithioacetone,2,2,4,4,6,6-hexamethyl-s-trithiane,hexamethyl-1,3,5-trithiane,hexamethyl-s-trithiane,1,3,5-trithiane, 2,2,4,4,6,6-hexamethyl,s-trithiane, hexamethyl,unii-l0me5b2zwy,fema no. 3475,s-trithiane, 2,2,4,4,6,6-hexamethyl,l0me5b2zwy PubChem CID: 13233 IUPAC Name: hexamethyl-1,3,5-trithiane SMILES: CC1(C)SC(C)(C)SC(C)(C)S1
| PubChem CID | 13233 |
|---|---|
| CAS | 828-26-2 |
| Molecular Weight (g/mol) | 222.42 |
| MDL Number | MFCD00066341 |
| SMILES | CC1(C)SC(C)(C)SC(C)(C)S1 |
| Synonym | trithioacetone,2,2,4,4,6,6-hexamethyl-s-trithiane,hexamethyl-1,3,5-trithiane,hexamethyl-s-trithiane,1,3,5-trithiane, 2,2,4,4,6,6-hexamethyl,s-trithiane, hexamethyl,unii-l0me5b2zwy,fema no. 3475,s-trithiane, 2,2,4,4,6,6-hexamethyl,l0me5b2zwy |
| IUPAC Name | hexamethyl-1,3,5-trithiane |
| InChI Key | NBNWHQAWKFYFKI-UHFFFAOYSA-N |
| Molecular Formula | C9H18S3 |
1,3-Dibromobutane 98.0+%, TCI America™
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CAS: 107-80-2 Molecular Formula: C4H8Br2 Molecular Weight (g/mol): 215.916 MDL Number: MFCD00000152 InChI Key: XZNGUVQDFJHPLU-UHFFFAOYSA-N Synonym: butane, 1,3-dibromo,1,3-butylene bromide,1,3 dibromobutane,1,3-dibrombutan,butane,1,3-dibromo,1,3-dibromo-butan,1,3-butylenebromide,1,3-dibromo butane,1,3-dibromo-butane,pubchem3866 PubChem CID: 7889 IUPAC Name: 1,3-dibromobutane SMILES: CC(CCBr)Br
| PubChem CID | 7889 |
|---|---|
| CAS | 107-80-2 |
| Molecular Weight (g/mol) | 215.916 |
| MDL Number | MFCD00000152 |
| SMILES | CC(CCBr)Br |
| Synonym | butane, 1,3-dibromo,1,3-butylene bromide,1,3 dibromobutane,1,3-dibrombutan,butane,1,3-dibromo,1,3-dibromo-butan,1,3-butylenebromide,1,3-dibromo butane,1,3-dibromo-butane,pubchem3866 |
| IUPAC Name | 1,3-dibromobutane |
| InChI Key | XZNGUVQDFJHPLU-UHFFFAOYSA-N |
| Molecular Formula | C4H8Br2 |