Benzene and substituted derivatives
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Ethyl vanillate, 97%
CAS: 617-05-0 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00017269 InChI Key: MWAYRGBWOVHDDZ-UHFFFAOYSA-N Synonym: ethyl vanillate,vanillic acid, ethyl ester,4-hydroxy-3-methoxybenzoic acid ethyl ester,benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester,unii-v38jk4z93o,3-methoxy-4-hydroxybenzoic acid, ethyl ester,m-anisic acid, 4-hydroxy-, ethyl ester,vanilicacidethylester,ethyl 4-hydroxy-3-methoxy-benzoate,ethylvanillate PubChem CID: 12038 IUPAC Name: ethyl 4-hydroxy-3-methoxybenzoate SMILES: CCOC(=O)C1=CC=C(O)C(OC)=C1
| PubChem CID | 12038 |
|---|---|
| CAS | 617-05-0 |
| Molecular Weight (g/mol) | 196.20 |
| MDL Number | MFCD00017269 |
| SMILES | CCOC(=O)C1=CC=C(O)C(OC)=C1 |
| Synonym | ethyl vanillate,vanillic acid, ethyl ester,4-hydroxy-3-methoxybenzoic acid ethyl ester,benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester,unii-v38jk4z93o,3-methoxy-4-hydroxybenzoic acid, ethyl ester,m-anisic acid, 4-hydroxy-, ethyl ester,vanilicacidethylester,ethyl 4-hydroxy-3-methoxy-benzoate,ethylvanillate |
| IUPAC Name | ethyl 4-hydroxy-3-methoxybenzoate |
| InChI Key | MWAYRGBWOVHDDZ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
2-Chloro-5-nitrobenzotrifluoride, 98%
CAS: 777-37-7 Molecular Formula: C7H3ClF3NO2 Molecular Weight (g/mol): 225.55 MDL Number: MFCD00007296 InChI Key: HQROXDLWVGFPDE-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzotrifluoride,1-chloro-4-nitro-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl nitrobenzene,benzene, 1-chloro-4-nitro-2-trifluoromethyl,3-trifluoromethyl-4-chloronitrobenzene,2-trifluoromethyl-4-nitrochlorobenzene,2-chloro-5-nitro-a,a,a-trifluorotoluene,4-nitro-2-trifluoromethyl chlorobenzene,1-chloro-2-trifluoromethyl-4-nitrobenzene,5-nitro-2-chlorobenzotrifluoride PubChem CID: 61213 IUPAC Name: 1-chloro-4-nitro-2-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC=C(Cl)C(=C1)C(F)(F)F
| PubChem CID | 61213 |
|---|---|
| CAS | 777-37-7 |
| Molecular Weight (g/mol) | 225.55 |
| MDL Number | MFCD00007296 |
| SMILES | [O-][N+](=O)C1=CC=C(Cl)C(=C1)C(F)(F)F |
| Synonym | 2-chloro-5-nitrobenzotrifluoride,1-chloro-4-nitro-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl nitrobenzene,benzene, 1-chloro-4-nitro-2-trifluoromethyl,3-trifluoromethyl-4-chloronitrobenzene,2-trifluoromethyl-4-nitrochlorobenzene,2-chloro-5-nitro-a,a,a-trifluorotoluene,4-nitro-2-trifluoromethyl chlorobenzene,1-chloro-2-trifluoromethyl-4-nitrobenzene,5-nitro-2-chlorobenzotrifluoride |
| IUPAC Name | 1-chloro-4-nitro-2-(trifluoromethyl)benzene |
| InChI Key | HQROXDLWVGFPDE-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClF3NO2 |
p-Toluenesulfonyl fluoride, 98%
CAS: 455-16-3 Molecular Formula: C7H7FO2S Molecular Weight (g/mol): 174.189 MDL Number: MFCD00007421 InChI Key: IZZYABADQVQHLC-UHFFFAOYSA-N Synonym: p-toluenesulfonyl fluoride,tosyl fluoride,4-toluenesulfonyl fluoride,benzenesulfonyl fluoride, 4-methyl,4-tolylsulfonyl fluoride,toluene-4-sulfonyl fluoride,p-methylbenzenesulfonyl fluoride,p-toluenesulphonyl fluoride,toluene-p-sulphonyl fluoride,p-methylphenylsulfonyl fluoride PubChem CID: 9965 IUPAC Name: 4-methylbenzenesulfonyl fluoride SMILES: CC1=CC=C(C=C1)S(=O)(=O)F
| PubChem CID | 9965 |
|---|---|
| CAS | 455-16-3 |
| Molecular Weight (g/mol) | 174.189 |
| MDL Number | MFCD00007421 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)F |
| Synonym | p-toluenesulfonyl fluoride,tosyl fluoride,4-toluenesulfonyl fluoride,benzenesulfonyl fluoride, 4-methyl,4-tolylsulfonyl fluoride,toluene-4-sulfonyl fluoride,p-methylbenzenesulfonyl fluoride,p-toluenesulphonyl fluoride,toluene-p-sulphonyl fluoride,p-methylphenylsulfonyl fluoride |
| IUPAC Name | 4-methylbenzenesulfonyl fluoride |
| InChI Key | IZZYABADQVQHLC-UHFFFAOYSA-N |
| Molecular Formula | C7H7FO2S |
(R)-(+)-2-Benzyloxypropionic acid, 98%
CAS: 100836-85-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD06799065 InChI Key: XWAVPOFYNPXXEL-MRVPVSSYSA-N Synonym: r-2-benzyloxy propanoic acid,r-+-2-benzyloxy propionic acid,r-+-2-benzyloxypropionic acid,o-benzyl-d-lactic acid,2r-2-benzyloxy propanoic acid,propanoic acid, 2-phenylmethoxy-, 2r,r-benzyloxypropionic acid,r-2-benzyloxy-propionic acid,2r-2-benzyloxy propionic acid,2r-2-phenylmethoxypropanoic acid PubChem CID: 7000104 IUPAC Name: (2R)-2-phenylmethoxypropanoic acid SMILES: CC(C(=O)O)OCC1=CC=CC=C1
| PubChem CID | 7000104 |
|---|---|
| CAS | 100836-85-9 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD06799065 |
| SMILES | CC(C(=O)O)OCC1=CC=CC=C1 |
| Synonym | r-2-benzyloxy propanoic acid,r-+-2-benzyloxy propionic acid,r-+-2-benzyloxypropionic acid,o-benzyl-d-lactic acid,2r-2-benzyloxy propanoic acid,propanoic acid, 2-phenylmethoxy-, 2r,r-benzyloxypropionic acid,r-2-benzyloxy-propionic acid,2r-2-benzyloxy propionic acid,2r-2-phenylmethoxypropanoic acid |
| IUPAC Name | (2R)-2-phenylmethoxypropanoic acid |
| InChI Key | XWAVPOFYNPXXEL-MRVPVSSYSA-N |
| Molecular Formula | C10H12O3 |
(1S,2S)-(+)-2-Benzyloxycyclohexylamine, ChiPros 99+%, ee 99%
CAS: 216394-07-9 Molecular Formula: C13H19NO Molecular Weight (g/mol): 205.30 MDL Number: MFCD01075753 InChI Key: NTHNRYLIXJZHRZ-UHFFFAOYNA-N PubChem CID: 11908838 IUPAC Name: (1S,2S)-2-phenylmethoxycyclohexan-1-amine SMILES: NC1CCCCC1OCC1=CC=CC=C1
| PubChem CID | 11908838 |
|---|---|
| CAS | 216394-07-9 |
| Molecular Weight (g/mol) | 205.30 |
| MDL Number | MFCD01075753 |
| SMILES | NC1CCCCC1OCC1=CC=CC=C1 |
| IUPAC Name | (1S,2S)-2-phenylmethoxycyclohexan-1-amine |
| InChI Key | NTHNRYLIXJZHRZ-UHFFFAOYNA-N |
| Molecular Formula | C13H19NO |
2-Iodobenzyl alcohol, 98+%
CAS: 5159-41-1 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.036 MDL Number: MFCD00004610 InChI Key: WZCXOBMFBKSSFA-UHFFFAOYSA-N Synonym: 2-iodobenzyl alcohol,2-iodophenyl methanol,o-iodobenzyl alcohol,2-iodobenzylalcohol,benzenemethanol, 2-iodo,2-iodobenzylic alcohol,2-jod-benzylalkohol,o-iodo benzylalcohol,2-iodo-benzyl alcohol PubChem CID: 107629 IUPAC Name: (2-iodophenyl)methanol SMILES: C1=CC=C(C(=C1)CO)I
| PubChem CID | 107629 |
|---|---|
| CAS | 5159-41-1 |
| Molecular Weight (g/mol) | 234.036 |
| MDL Number | MFCD00004610 |
| SMILES | C1=CC=C(C(=C1)CO)I |
| Synonym | 2-iodobenzyl alcohol,2-iodophenyl methanol,o-iodobenzyl alcohol,2-iodobenzylalcohol,benzenemethanol, 2-iodo,2-iodobenzylic alcohol,2-jod-benzylalkohol,o-iodo benzylalcohol,2-iodo-benzyl alcohol |
| IUPAC Name | (2-iodophenyl)methanol |
| InChI Key | WZCXOBMFBKSSFA-UHFFFAOYSA-N |
| Molecular Formula | C7H7IO |
2,4,6-Trifluorobenzotrifluoride, 96%
CAS: 122030-04-0 Molecular Formula: C7H2F6 Molecular Weight (g/mol): 200.083 MDL Number: MFCD00190109 InChI Key: SGPXFVDJRSZIPK-UHFFFAOYSA-N Synonym: 2,4,6-trifluorobenzotrifluoride,1,3,5-trifluoro-2-trifluoromethyl benzene,pubchem4877,2,4,6-trifluorobenzotrifluorode,2,4,6-tri-fluorobenzotrifluoride,benzene, 1,3,5-trifluoro-2-trifluoromethyl,alpha,alpha,alpha,2,4,6-hexafluorotoluene,alpha,alpha,alpha,2,4,6-hexafluorotoluene;1,3,5-trifluoro-2-trifluoromethyl benzene PubChem CID: 2734030 IUPAC Name: 1,3,5-trifluoro-2-(trifluoromethyl)benzene SMILES: C1=C(C=C(C(=C1F)C(F)(F)F)F)F
| PubChem CID | 2734030 |
|---|---|
| CAS | 122030-04-0 |
| Molecular Weight (g/mol) | 200.083 |
| MDL Number | MFCD00190109 |
| SMILES | C1=C(C=C(C(=C1F)C(F)(F)F)F)F |
| Synonym | 2,4,6-trifluorobenzotrifluoride,1,3,5-trifluoro-2-trifluoromethyl benzene,pubchem4877,2,4,6-trifluorobenzotrifluorode,2,4,6-tri-fluorobenzotrifluoride,benzene, 1,3,5-trifluoro-2-trifluoromethyl,alpha,alpha,alpha,2,4,6-hexafluorotoluene,alpha,alpha,alpha,2,4,6-hexafluorotoluene;1,3,5-trifluoro-2-trifluoromethyl benzene |
| IUPAC Name | 1,3,5-trifluoro-2-(trifluoromethyl)benzene |
| InChI Key | SGPXFVDJRSZIPK-UHFFFAOYSA-N |
| Molecular Formula | C7H2F6 |
4-Fluorostyrene, 97%, stabilized
CAS: 405-99-2 Molecular Formula: C8H7F Molecular Weight (g/mol): 122.14 MDL Number: MFCD00000361 InChI Key: JWVTWJNGILGLAT-UHFFFAOYSA-N Synonym: 4-fluorostyrene,1-fluoro-4-vinylbenzene,p-fluorostyrene,benzene, 1-ethenyl-4-fluoro,styrene, p-fluoro,para-fluorostyrene,1-fluoro-4-vinyl-benzene,4-fluoro-styrene,acmc-1cszp PubChem CID: 67883 IUPAC Name: 1-ethenyl-4-fluorobenzene SMILES: C=CC1=CC=C(C=C1)F
| PubChem CID | 67883 |
|---|---|
| CAS | 405-99-2 |
| Molecular Weight (g/mol) | 122.14 |
| MDL Number | MFCD00000361 |
| SMILES | C=CC1=CC=C(C=C1)F |
| Synonym | 4-fluorostyrene,1-fluoro-4-vinylbenzene,p-fluorostyrene,benzene, 1-ethenyl-4-fluoro,styrene, p-fluoro,para-fluorostyrene,1-fluoro-4-vinyl-benzene,4-fluoro-styrene,acmc-1cszp |
| IUPAC Name | 1-ethenyl-4-fluorobenzene |
| InChI Key | JWVTWJNGILGLAT-UHFFFAOYSA-N |
| Molecular Formula | C8H7F |
2,6-Difluorobenzoic acid, 98+%
CAS: 385-00-2 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.104 MDL Number: MFCD00002411 InChI Key: ONOTYLMNTZNAQZ-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-difluoro,2,6-difluorobenzoicacid,2,6-difluoro benzoic acid,2,6-difluoro-benzoic acid,pubchem2274,benzoic acid,6-difluoro,acmc-209j0h,2,6,-difluorobenzoic acid,3-09-00-01330 beilstein handbook reference,ksc223c7l PubChem CID: 9796 IUPAC Name: 2,6-difluorobenzoic acid SMILES: C1=CC(=C(C(=C1)F)C(=O)O)F
| PubChem CID | 9796 |
|---|---|
| CAS | 385-00-2 |
| Molecular Weight (g/mol) | 158.104 |
| MDL Number | MFCD00002411 |
| SMILES | C1=CC(=C(C(=C1)F)C(=O)O)F |
| Synonym | benzoic acid, 2,6-difluoro,2,6-difluorobenzoicacid,2,6-difluoro benzoic acid,2,6-difluoro-benzoic acid,pubchem2274,benzoic acid,6-difluoro,acmc-209j0h,2,6,-difluorobenzoic acid,3-09-00-01330 beilstein handbook reference,ksc223c7l |
| IUPAC Name | 2,6-difluorobenzoic acid |
| InChI Key | ONOTYLMNTZNAQZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O2 |
2,3,4,5,6-Pentafluorobenzamide, 99%
CAS: 652-31-3 Molecular Formula: C7H2F5NO Molecular Weight (g/mol): 211.091 MDL Number: MFCD00007971 InChI Key: WPWWHXPRJFDTTJ-UHFFFAOYSA-N PubChem CID: 69547 IUPAC Name: 2,3,4,5,6-pentafluorobenzamide SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)N
| PubChem CID | 69547 |
|---|---|
| CAS | 652-31-3 |
| Molecular Weight (g/mol) | 211.091 |
| MDL Number | MFCD00007971 |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)N |
| IUPAC Name | 2,3,4,5,6-pentafluorobenzamide |
| InChI Key | WPWWHXPRJFDTTJ-UHFFFAOYSA-N |
| Molecular Formula | C7H2F5NO |
2-Chloro-4-methylsulphonylbenzoic acid, 95%, Thermo Scientific™
CAS: 53250-83-2 Molecular Formula: C8H6ClO4S Molecular Weight (g/mol): 233.64 MDL Number: MFCD00216496 InChI Key: CTTWSFIIFMWHLQ-UHFFFAOYSA-M Synonym: 2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa PubChem CID: 735863 IUPAC Name: 2-chloro-4-methylsulfonylbenzoic acid SMILES: CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1
| PubChem CID | 735863 |
|---|---|
| CAS | 53250-83-2 |
| Molecular Weight (g/mol) | 233.64 |
| MDL Number | MFCD00216496 |
| SMILES | CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1 |
| Synonym | 2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa |
| IUPAC Name | 2-chloro-4-methylsulfonylbenzoic acid |
| InChI Key | CTTWSFIIFMWHLQ-UHFFFAOYSA-M |
| Molecular Formula | C8H6ClO4S |
4-Fluorosalicylic acid, 98%
CAS: 345-29-9 Molecular Formula: C7H5FO3 Molecular Weight (g/mol): 156.11 MDL Number: MFCD00153168 InChI Key: TTZOLDXHOCCNMF-UHFFFAOYSA-N Synonym: 4-fluorosalicylic acid,4-fluorosalicyclic acid,2-hydroxy-4-fluorobenzoic acid,4-fluoro-2-hydroxy-benzoic acid,fluorohydroxybenzoicacid5,benzoic acid, 4-fluoro-2-hydroxy,4-fluorosalicylicacid,zlchem 109,pubchem3493 PubChem CID: 67661 IUPAC Name: 4-fluoro-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(F)C=C1O
| PubChem CID | 67661 |
|---|---|
| CAS | 345-29-9 |
| Molecular Weight (g/mol) | 156.11 |
| MDL Number | MFCD00153168 |
| SMILES | OC(=O)C1=CC=C(F)C=C1O |
| Synonym | 4-fluorosalicylic acid,4-fluorosalicyclic acid,2-hydroxy-4-fluorobenzoic acid,4-fluoro-2-hydroxy-benzoic acid,fluorohydroxybenzoicacid5,benzoic acid, 4-fluoro-2-hydroxy,4-fluorosalicylicacid,zlchem 109,pubchem3493 |
| IUPAC Name | 4-fluoro-2-hydroxybenzoic acid |
| InChI Key | TTZOLDXHOCCNMF-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO3 |
Methyl 2-amino-5-chlorobenzoate, 95%, Thermo Scientific™
CAS: 5202-89-1 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.61 MDL Number: MFCD00007837 InChI Key: IGHVUURTQGBABT-UHFFFAOYSA-N Synonym: methyl 5-chloroanthranilate,methyl2-amino-5-chlorobenzoate,5-chloroanthranilic acid methyl ester,benzoic acid, 2-amino-5-chloro-, methyl ester,2-amino-5-chlorobenzoic acid methyl ester,anthranilic acid, 5-chloro-, methyl ester,2-amino-5-chloro-benzoic acid methyl ester,pubchem3346,acmc-1axns,methyl-5-chloroanthranilate PubChem CID: 78878 IUPAC Name: methyl 2-amino-5-chlorobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Cl)N
| PubChem CID | 78878 |
|---|---|
| CAS | 5202-89-1 |
| Molecular Weight (g/mol) | 185.61 |
| MDL Number | MFCD00007837 |
| SMILES | COC(=O)C1=C(C=CC(=C1)Cl)N |
| Synonym | methyl 5-chloroanthranilate,methyl2-amino-5-chlorobenzoate,5-chloroanthranilic acid methyl ester,benzoic acid, 2-amino-5-chloro-, methyl ester,2-amino-5-chlorobenzoic acid methyl ester,anthranilic acid, 5-chloro-, methyl ester,2-amino-5-chloro-benzoic acid methyl ester,pubchem3346,acmc-1axns,methyl-5-chloroanthranilate |
| IUPAC Name | methyl 2-amino-5-chlorobenzoate |
| InChI Key | IGHVUURTQGBABT-UHFFFAOYSA-N |
| Molecular Formula | C8H8ClNO2 |
4-Bromo-2-fluorobenzoyl chloride, 99%
CAS: 151982-51-3 Molecular Formula: C7H3BrClFO Molecular Weight (g/mol): 237.46 MDL Number: MFCD03411584 InChI Key: PCFIABOQFAFDAU-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzoyl chloride,benzoyl chloride, 4-bromo-2-fluoro,benzoyl chloride,4-bromo-2-fluoro,acmc-20amnm,4-bromo-2-fluorobenzoylchloride,4-bromo-2-fluoro-benzoyl chloride,4-bromo-2-fluorobenzoic acid chloride,4-bromanyl-2-fluoranyl-benzoyl chloride PubChem CID: 2734026 IUPAC Name: 4-bromo-2-fluorobenzoyl chloride SMILES: C1=CC(=C(C=C1Br)F)C(=O)Cl
| PubChem CID | 2734026 |
|---|---|
| CAS | 151982-51-3 |
| Molecular Weight (g/mol) | 237.46 |
| MDL Number | MFCD03411584 |
| SMILES | C1=CC(=C(C=C1Br)F)C(=O)Cl |
| Synonym | 2-fluoro-4-bromobenzoyl chloride,benzoyl chloride, 4-bromo-2-fluoro,benzoyl chloride,4-bromo-2-fluoro,acmc-20amnm,4-bromo-2-fluorobenzoylchloride,4-bromo-2-fluoro-benzoyl chloride,4-bromo-2-fluorobenzoic acid chloride,4-bromanyl-2-fluoranyl-benzoyl chloride |
| IUPAC Name | 4-bromo-2-fluorobenzoyl chloride |
| InChI Key | PCFIABOQFAFDAU-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrClFO |
Niclosamide, Anhydrous, BP, 98-101%, Spectrum™ Chemical
CAS: 50-65-7 Molecular Formula: C13H8Cl2N2O4 Molecular Weight (g/mol): 327.12 MDL Number: MFCD00057597 InChI Key: RJMUSRYZPJIFPJ-UHFFFAOYSA-N IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide SMILES: OC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O
| CAS | 50-65-7 |
|---|---|
| Molecular Weight (g/mol) | 327.12 |
| MDL Number | MFCD00057597 |
| SMILES | OC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O |
| IUPAC Name | 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide |
| InChI Key | RJMUSRYZPJIFPJ-UHFFFAOYSA-N |
| Molecular Formula | C13H8Cl2N2O4 |