Benzene and substituted derivatives
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Methyl 2-nitrobenzoate, 98+%
CAS: 606-27-9 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007136 InChI Key: AOXPHVNMBPFOFS-UHFFFAOYSA-N Synonym: methyl o-nitrobenzoate,benzoic acid, 2-nitro-, methyl ester,2-nitro-benzoic acid methyl ester,benzoic acid, o-nitro-, methyl ester,2-nitrobenzoic acid methyl ester,methyl-2-nitrobenzoate,methyl o-nitro benzoate,methyl ortho-nitrobenzoate,acmc-209ml4,nitrobenzoic acid methyl ester PubChem CID: 69072 IUPAC Name: methyl 2-nitrobenzoate SMILES: COC(=O)C1=CC=CC=C1[N+](=O)[O-]
| PubChem CID | 69072 |
|---|---|
| CAS | 606-27-9 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007136 |
| SMILES | COC(=O)C1=CC=CC=C1[N+](=O)[O-] |
| Synonym | methyl o-nitrobenzoate,benzoic acid, 2-nitro-, methyl ester,2-nitro-benzoic acid methyl ester,benzoic acid, o-nitro-, methyl ester,2-nitrobenzoic acid methyl ester,methyl-2-nitrobenzoate,methyl o-nitro benzoate,methyl ortho-nitrobenzoate,acmc-209ml4,nitrobenzoic acid methyl ester |
| IUPAC Name | methyl 2-nitrobenzoate |
| InChI Key | AOXPHVNMBPFOFS-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
Methyl 3-nitrosalicylate, 98%, Thermo Scientific Chemicals
CAS: 22621-41-6 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.15 MDL Number: MFCD00272263 InChI Key: NIBVYEHAFBEVFI-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l PubChem CID: 596904 SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O
| PubChem CID | 596904 |
|---|---|
| CAS | 22621-41-6 |
| Molecular Weight (g/mol) | 197.15 |
| MDL Number | MFCD00272263 |
| SMILES | COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O |
| Synonym | methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l |
| InChI Key | NIBVYEHAFBEVFI-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
3-Methoxyphenyl isothiocyanate, 98%
CAS: 3125-64-2 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00040335 InChI Key: WHBYCPUKGYEYFU-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isothiocyanate,3-methoxyphenylisothiocyanate,1-isothiocyanato-3-methoxy-benzene,3-isothiocyanatoanisole,acmc-1cldj,m-methoxyphenyl isothiocyanate,3-methoxy phenyl isothiocyanate,3-methoxy-phenyl isothiocyanate,# PubChem CID: 137832 IUPAC Name: 1-isothiocyanato-3-methoxybenzene SMILES: COC1=CC=CC(=C1)N=C=S
| PubChem CID | 137832 |
|---|---|
| CAS | 3125-64-2 |
| Molecular Weight (g/mol) | 165.21 |
| MDL Number | MFCD00040335 |
| SMILES | COC1=CC=CC(=C1)N=C=S |
| Synonym | 3-methoxyphenyl isothiocyanate,3-methoxyphenylisothiocyanate,1-isothiocyanato-3-methoxy-benzene,3-isothiocyanatoanisole,acmc-1cldj,m-methoxyphenyl isothiocyanate,3-methoxy phenyl isothiocyanate,3-methoxy-phenyl isothiocyanate,# |
| IUPAC Name | 1-isothiocyanato-3-methoxybenzene |
| InChI Key | WHBYCPUKGYEYFU-UHFFFAOYSA-N |
| Molecular Formula | C8H7NOS |
4-Bromo-2-methoxyaniline, 98%, Thermo Scientific Chemicals
CAS: 59557-91-4 Molecular Formula: C7H8BrNO Molecular Weight (g/mol): 202.051 MDL Number: MFCD01204266 InChI Key: WRFYIYOXJWKONR-UHFFFAOYSA-N Synonym: 4-bromo-2-methoxy-phenylamine,2-amino-5-bromoanisole,4-bromo-o-anisidine,4-bromo-2-methoxyphenylamine,4-bromo-2-methoxy-aniline,2-methoxy-4-bromoaniline,benzenamine, 4-bromo-2-methoxy,pubchem2258,acmc-209meb,4-bromo-2-methoxy aniline PubChem CID: 459257 IUPAC Name: 4-bromo-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)Br)N
| PubChem CID | 459257 |
|---|---|
| CAS | 59557-91-4 |
| Molecular Weight (g/mol) | 202.051 |
| MDL Number | MFCD01204266 |
| SMILES | COC1=C(C=CC(=C1)Br)N |
| Synonym | 4-bromo-2-methoxy-phenylamine,2-amino-5-bromoanisole,4-bromo-o-anisidine,4-bromo-2-methoxyphenylamine,4-bromo-2-methoxy-aniline,2-methoxy-4-bromoaniline,benzenamine, 4-bromo-2-methoxy,pubchem2258,acmc-209meb,4-bromo-2-methoxy aniline |
| IUPAC Name | 4-bromo-2-methoxyaniline |
| InChI Key | WRFYIYOXJWKONR-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrNO |
4-Methoxyphenyl isocyanate, 98%
CAS: 5416-93-3 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00002026 InChI Key: FMDGXCSMDZMDHZ-UHFFFAOYSA-N Synonym: 4-methoxyphenyl isocyanate,4-methoxyphenylisocyanate,benzene, 1-isocyanato-4-methoxy,p-anisyl isocyanate,p-methoxyphenyl isocyanate,isocyanic acid, p-methoxyphenyl ester,unii-c50o5096nc,1-isocyanato-4-methoxy-benzene,4-methoxybenzenisocyanate,4-methoxyisocyanatobenzene PubChem CID: 79443 IUPAC Name: 1-isocyanato-4-methoxybenzene SMILES: COC1=CC=C(C=C1)N=C=O
| PubChem CID | 79443 |
|---|---|
| CAS | 5416-93-3 |
| Molecular Weight (g/mol) | 149.149 |
| MDL Number | MFCD00002026 |
| SMILES | COC1=CC=C(C=C1)N=C=O |
| Synonym | 4-methoxyphenyl isocyanate,4-methoxyphenylisocyanate,benzene, 1-isocyanato-4-methoxy,p-anisyl isocyanate,p-methoxyphenyl isocyanate,isocyanic acid, p-methoxyphenyl ester,unii-c50o5096nc,1-isocyanato-4-methoxy-benzene,4-methoxybenzenisocyanate,4-methoxyisocyanatobenzene |
| IUPAC Name | 1-isocyanato-4-methoxybenzene |
| InChI Key | FMDGXCSMDZMDHZ-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO2 |
Methyl 4-amino-2-methoxybenzoate, 98%, Thermo Scientific Chemicals
CAS: 27492-84-8 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.19 MDL Number: MFCD00017202 InChI Key: YUPQMVSYNJQULF-UHFFFAOYSA-N Synonym: methyl 4-amino-o-anisate,4-amino-2-methoxybenzoic acid methyl ester,benzoic acid, 4-amino-2-methoxy-, methyl ester,methyl 2-methoxy-4-aminobenzoate,methyl 4-amino-2-methoxy-benzoate,4-amino-o-anisic acid methyl ester,methyl 4-amino-2-methoxybenzenecarboxylate,2-methoxy-4-aminobenzoic acid methyl ester,ethylbenzyl dimethyltetradecylammonium chloride,pubchem4712 PubChem CID: 168705 IUPAC Name: methyl 4-amino-2-methoxybenzoate SMILES: COC(=O)C1=CC=C(N)C=C1OC
| PubChem CID | 168705 |
|---|---|
| CAS | 27492-84-8 |
| Molecular Weight (g/mol) | 181.19 |
| MDL Number | MFCD00017202 |
| SMILES | COC(=O)C1=CC=C(N)C=C1OC |
| Synonym | methyl 4-amino-o-anisate,4-amino-2-methoxybenzoic acid methyl ester,benzoic acid, 4-amino-2-methoxy-, methyl ester,methyl 2-methoxy-4-aminobenzoate,methyl 4-amino-2-methoxy-benzoate,4-amino-o-anisic acid methyl ester,methyl 4-amino-2-methoxybenzenecarboxylate,2-methoxy-4-aminobenzoic acid methyl ester,ethylbenzyl dimethyltetradecylammonium chloride,pubchem4712 |
| IUPAC Name | methyl 4-amino-2-methoxybenzoate |
| InChI Key | YUPQMVSYNJQULF-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO3 |
4-Bromo-3-methylbenzoic acid, 98%
CAS: 7697-28-1 Molecular Formula: C8H6BrO2 Molecular Weight (g/mol): 214.04 MDL Number: MFCD00039526 InChI Key: KWVXDZLVCISXIB-UHFFFAOYSA-M Synonym: 4-bromo-m-toluic acid,4-bromo-3-methyl-benzoic acid,4-bromo-3-methylbenzoicacid,3-methyl-4-bromobenzoic acid,4-bromo-3-methyl benzoic acid,benzoic acid, 4-bromo-3-methyl,pubchem3807,4bromo-3-methylbenzoic acid,4-bromo-5-methylbenzoic acid,ksc379g0b PubChem CID: 82131 IUPAC Name: 4-bromo-3-methylbenzoic acid SMILES: CC1=CC(=CC=C1Br)C([O-])=O
| PubChem CID | 82131 |
|---|---|
| CAS | 7697-28-1 |
| Molecular Weight (g/mol) | 214.04 |
| MDL Number | MFCD00039526 |
| SMILES | CC1=CC(=CC=C1Br)C([O-])=O |
| Synonym | 4-bromo-m-toluic acid,4-bromo-3-methyl-benzoic acid,4-bromo-3-methylbenzoicacid,3-methyl-4-bromobenzoic acid,4-bromo-3-methyl benzoic acid,benzoic acid, 4-bromo-3-methyl,pubchem3807,4bromo-3-methylbenzoic acid,4-bromo-5-methylbenzoic acid,ksc379g0b |
| IUPAC Name | 4-bromo-3-methylbenzoic acid |
| InChI Key | KWVXDZLVCISXIB-UHFFFAOYSA-M |
| Molecular Formula | C8H6BrO2 |
4-Fluoro-3-formyl-benzoic acid, 97%, Thermo Scientific™
CAS: 845885-90-7 Molecular Formula: C8H5FO3 Molecular Weight (g/mol): 168.123 InChI Key: SKPWEADPCJMLID-UHFFFAOYSA-N Synonym: 4-fluoro-3-formyl-benzoic acid,3-formyl-4-fluorobenzoic acid,4-fluoro-3-formylbenzoicacid,ksc495c1b PubChem CID: 2794818 IUPAC Name: 4-fluoro-3-formylbenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)C=O)F
| PubChem CID | 2794818 |
|---|---|
| CAS | 845885-90-7 |
| Molecular Weight (g/mol) | 168.123 |
| SMILES | C1=CC(=C(C=C1C(=O)O)C=O)F |
| Synonym | 4-fluoro-3-formyl-benzoic acid,3-formyl-4-fluorobenzoic acid,4-fluoro-3-formylbenzoicacid,ksc495c1b |
| IUPAC Name | 4-fluoro-3-formylbenzoic acid |
| InChI Key | SKPWEADPCJMLID-UHFFFAOYSA-N |
| Molecular Formula | C8H5FO3 |
Sodium Salicylate, Crystal, USP, 98-102%, Spectrum™ Chemical
CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.10 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M IUPAC Name: sodium 2-hydroxybenzoate SMILES: [Na+].OC1=CC=CC=C1C([O-])=O
| CAS | 54-21-7 |
|---|---|
| Molecular Weight (g/mol) | 160.10 |
| SMILES | [Na+].OC1=CC=CC=C1C([O-])=O |
| IUPAC Name | sodium 2-hydroxybenzoate |
| InChI Key | ABBQHOQBGMUPJH-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO3 |
Methyl 3-amino-5-fluorobenzoate, 98%
CAS: 884497-46-5 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.155 MDL Number: MFCD05863683 InChI Key: YKEJVXMOMKWEPV-UHFFFAOYSA-N Synonym: methyl3-amino-5-fluorobenzoate,methyl 5-amino-3-fluorobenzoate,5-amino-3-fluorobenzoic acid methyl ester,3-amino-5-fluoro-benzoic acid methyl ester PubChem CID: 3807862 IUPAC Name: methyl 3-amino-5-fluorobenzoate SMILES: COC(=O)C1=CC(=CC(=C1)F)N
| PubChem CID | 3807862 |
|---|---|
| CAS | 884497-46-5 |
| Molecular Weight (g/mol) | 169.155 |
| MDL Number | MFCD05863683 |
| SMILES | COC(=O)C1=CC(=CC(=C1)F)N |
| Synonym | methyl3-amino-5-fluorobenzoate,methyl 5-amino-3-fluorobenzoate,5-amino-3-fluorobenzoic acid methyl ester,3-amino-5-fluoro-benzoic acid methyl ester |
| IUPAC Name | methyl 3-amino-5-fluorobenzoate |
| InChI Key | YKEJVXMOMKWEPV-UHFFFAOYSA-N |
| Molecular Formula | C8H8FNO2 |
2,4-Dichlorobenzoyl chloride, 98%
CAS: 89-75-8 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00000661 InChI Key: CEOCVKWBUWKBKA-UHFFFAOYSA-N Synonym: benzoyl chloride, 2,4-dichloro,2,4-dichlorobenzoylchloride,benzoylchloride, 2,4-dichloro,ccris 8616,acmc-1cuf7,dsstox_cid_31176,dsstox_gsid_52603,2,4-dichloro benzoylchloride,2.4-dichlorobenzoyl chloride,ksc450c2p PubChem CID: 66645 IUPAC Name: 2,4-dichlorobenzoyl chloride SMILES: ClC(=O)C1=CC=C(Cl)C=C1Cl
| PubChem CID | 66645 |
|---|---|
| CAS | 89-75-8 |
| Molecular Weight (g/mol) | 209.45 |
| MDL Number | MFCD00000661 |
| SMILES | ClC(=O)C1=CC=C(Cl)C=C1Cl |
| Synonym | benzoyl chloride, 2,4-dichloro,2,4-dichlorobenzoylchloride,benzoylchloride, 2,4-dichloro,ccris 8616,acmc-1cuf7,dsstox_cid_31176,dsstox_gsid_52603,2,4-dichloro benzoylchloride,2.4-dichlorobenzoyl chloride,ksc450c2p |
| IUPAC Name | 2,4-dichlorobenzoyl chloride |
| InChI Key | CEOCVKWBUWKBKA-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O |
5-Aminosalicylic acid, MP Biomedicals™
CAS: 89-57-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 InChI Key: KBOPZPXVLCULAV-UHFFFAOYSA-N Synonym: 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa PubChem CID: 4075 ChEBI: CHEBI:6775 IUPAC Name: 5-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)C(=O)O)O
| PubChem CID | 4075 |
|---|---|
| CAS | 89-57-6 |
| Molecular Weight (g/mol) | 153.137 |
| ChEBI | CHEBI:6775 |
| SMILES | C1=CC(=C(C=C1N)C(=O)O)O |
| Synonym | 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa |
| IUPAC Name | 5-amino-2-hydroxybenzoic acid |
| InChI Key | KBOPZPXVLCULAV-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
2-Fluoro-4-methoxycarbonylphenylboronic acid, 98%, Thermo Scientific™
CAS: 603122-84-5 Molecular Formula: C8H8BFO4 Molecular Weight (g/mol): 197.96 MDL Number: MFCD08436034 InChI Key: BKWRLCIYMAYFPA-UHFFFAOYSA-N Synonym: 2-fluoro-4-methoxycarbonyl phenylboronic acid,2-fluoro-4-methoxycarbonyl benzeneboronic acid,4-methoxycarbonyl-2-fluorophenylboronic acid,2-fluoro-4-methoxycarbonyl phenyl boronic acid,o-fluoro p-methoxy carbonyl phenyl boronic acid,pubchem17434,acmc-209mj4,2-fluoro-4-methoxycarbonyl phenylboronicacid,2-fluoro-4-methoxycarbonyl-phenylboronic acid PubChem CID: 24824345 IUPAC Name: (2-fluoro-4-methoxycarbonylphenyl)boronic acid SMILES: COC(=O)C1=CC(F)=C(C=C1)B(O)O
| PubChem CID | 24824345 |
|---|---|
| CAS | 603122-84-5 |
| Molecular Weight (g/mol) | 197.96 |
| MDL Number | MFCD08436034 |
| SMILES | COC(=O)C1=CC(F)=C(C=C1)B(O)O |
| Synonym | 2-fluoro-4-methoxycarbonyl phenylboronic acid,2-fluoro-4-methoxycarbonyl benzeneboronic acid,4-methoxycarbonyl-2-fluorophenylboronic acid,2-fluoro-4-methoxycarbonyl phenyl boronic acid,o-fluoro p-methoxy carbonyl phenyl boronic acid,pubchem17434,acmc-209mj4,2-fluoro-4-methoxycarbonyl phenylboronicacid,2-fluoro-4-methoxycarbonyl-phenylboronic acid |
| IUPAC Name | (2-fluoro-4-methoxycarbonylphenyl)boronic acid |
| InChI Key | BKWRLCIYMAYFPA-UHFFFAOYSA-N |
| Molecular Formula | C8H8BFO4 |
3,4-Difluorobenzoyl chloride, 98%
CAS: 76903-88-3 Molecular Formula: C7H3ClF2O Molecular Weight (g/mol): 176.55 MDL Number: MFCD00009930 InChI Key: RPQWXGVZELKOEU-UHFFFAOYSA-N Synonym: 3,4-difluorobenzoylchloride,benzoyl chloride, 3,4-difluoro,3,4-difluoro benzoyl chloride,pubchem14796,acmc-209p6r,3,4 difluorobenzoylchloride,3,4-diflorobenzoyl chloride,3,4-difluorobezoyl chloride,3,4-diflourobenzoyl chloride,ksc494e2f PubChem CID: 2724519 IUPAC Name: 3,4-difluorobenzoyl chloride SMILES: FC1=CC=C(C=C1F)C(Cl)=O
| PubChem CID | 2724519 |
|---|---|
| CAS | 76903-88-3 |
| Molecular Weight (g/mol) | 176.55 |
| MDL Number | MFCD00009930 |
| SMILES | FC1=CC=C(C=C1F)C(Cl)=O |
| Synonym | 3,4-difluorobenzoylchloride,benzoyl chloride, 3,4-difluoro,3,4-difluoro benzoyl chloride,pubchem14796,acmc-209p6r,3,4 difluorobenzoylchloride,3,4-diflorobenzoyl chloride,3,4-difluorobezoyl chloride,3,4-diflourobenzoyl chloride,ksc494e2f |
| IUPAC Name | 3,4-difluorobenzoyl chloride |
| InChI Key | RPQWXGVZELKOEU-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClF2O |
5-Iodosalicylic acid, 97%
CAS: 119-30-2 Molecular Formula: C7H5IO3 Molecular Weight (g/mol): 264.018 MDL Number: MFCD00002458 InChI Key: SWDNKOFGNPGRPI-UHFFFAOYSA-N Synonym: 5-iodosalicylic acid,benzoic acid, 2-hydroxy-5-iodo,salicylic acid, 5-iodo,5-iodo-2-hydroxybenzoic acid,2-hydroxy-5-iodo-benzoic acid,rarechem al be 0824,labotest-bb lt00454718,5-jod-salicylsaure,5-iodosalicylicacid,5-iodo-salicylicaci PubChem CID: 8388 IUPAC Name: 2-hydroxy-5-iodobenzoic acid SMILES: C1=CC(=C(C=C1I)C(=O)O)O
| PubChem CID | 8388 |
|---|---|
| CAS | 119-30-2 |
| Molecular Weight (g/mol) | 264.018 |
| MDL Number | MFCD00002458 |
| SMILES | C1=CC(=C(C=C1I)C(=O)O)O |
| Synonym | 5-iodosalicylic acid,benzoic acid, 2-hydroxy-5-iodo,salicylic acid, 5-iodo,5-iodo-2-hydroxybenzoic acid,2-hydroxy-5-iodo-benzoic acid,rarechem al be 0824,labotest-bb lt00454718,5-jod-salicylsaure,5-iodosalicylicacid,5-iodo-salicylicaci |
| IUPAC Name | 2-hydroxy-5-iodobenzoic acid |
| InChI Key | SWDNKOFGNPGRPI-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO3 |