Benzene and substituted derivatives
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2,3-Difluorobenzoic Acid 98.0+%, TCI America™
CAS: 4519-39-5 Molecular Formula: C7H3F2O2 Molecular Weight (g/mol): 157.10 MDL Number: MFCD00010267 InChI Key: JLZVIWSFUPLSOR-UHFFFAOYSA-M Synonym: 2,3-difluoro-benzoic acid,benzoic acid, 2,3-difluoro,difluorobenzoic acid,difluorobenzoic acid;,pubchem1379,2,3 difluorobenzoic acid,acmc-209k0x,2,3-difluoro benzoic acid,2,3-difluorobenzoic acid;,ksc235o6t PubChem CID: 370590 IUPAC Name: 2,3-difluorobenzoate SMILES: [O-]C(=O)C1=CC=CC(F)=C1F
| PubChem CID | 370590 |
|---|---|
| CAS | 4519-39-5 |
| Molecular Weight (g/mol) | 157.10 |
| MDL Number | MFCD00010267 |
| SMILES | [O-]C(=O)C1=CC=CC(F)=C1F |
| Synonym | 2,3-difluoro-benzoic acid,benzoic acid, 2,3-difluoro,difluorobenzoic acid,difluorobenzoic acid;,pubchem1379,2,3 difluorobenzoic acid,acmc-209k0x,2,3-difluoro benzoic acid,2,3-difluorobenzoic acid;,ksc235o6t |
| IUPAC Name | 2,3-difluorobenzoate |
| InChI Key | JLZVIWSFUPLSOR-UHFFFAOYSA-M |
| Molecular Formula | C7H3F2O2 |
2,6-Dihydroxybenzoic Acid 98.0+%, TCI America™
CAS: 303-07-1 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00002462 InChI Key: AKEUNCKRJATALU-UHFFFAOYSA-N Synonym: gamma-resorcylic acid,2-carboxyresorcinol,2,6-resorcylic acid,6-hydroxysalicylic acid,benzoic acid, 2,6-dihydroxy,.gamma.-resorcylic acid,unii-rsa5g6vrpv,rsa5g6vrpv,2,6-dihydroxy benzoic acid,2,6-dihydroxy-benzoic acid PubChem CID: 9338 ChEBI: CHEBI:68465 IUPAC Name: 2,6-dihydroxybenzoic acid SMILES: OC(=O)C1=C(O)C=CC=C1O
| PubChem CID | 9338 |
|---|---|
| CAS | 303-07-1 |
| Molecular Weight (g/mol) | 154.12 |
| ChEBI | CHEBI:68465 |
| MDL Number | MFCD00002462 |
| SMILES | OC(=O)C1=C(O)C=CC=C1O |
| Synonym | gamma-resorcylic acid,2-carboxyresorcinol,2,6-resorcylic acid,6-hydroxysalicylic acid,benzoic acid, 2,6-dihydroxy,.gamma.-resorcylic acid,unii-rsa5g6vrpv,rsa5g6vrpv,2,6-dihydroxy benzoic acid,2,6-dihydroxy-benzoic acid |
| IUPAC Name | 2,6-dihydroxybenzoic acid |
| InChI Key | AKEUNCKRJATALU-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
2-Bromobenzoic Acid 98.0+%, TCI America™
CAS: 88-65-3 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD00002402 InChI Key: XRXMNWGCKISMOH-UHFFFAOYSA-N Synonym: o-bromobenzoic acid,benzoic acid, 2-bromo,bromobenzoic acid,benzoic acid, o-bromo,2-bromo-benzoic acid,benzoic acid, bromo,unii-az789tzs4l,az789tzs4l,ortho-bromobenzoic acid,attercop-chm at111657 PubChem CID: 6940 IUPAC Name: 2-bromobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)Br
| PubChem CID | 6940 |
|---|---|
| CAS | 88-65-3 |
| Molecular Weight (g/mol) | 201.019 |
| MDL Number | MFCD00002402 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)Br |
| Synonym | o-bromobenzoic acid,benzoic acid, 2-bromo,bromobenzoic acid,benzoic acid, o-bromo,2-bromo-benzoic acid,benzoic acid, bromo,unii-az789tzs4l,az789tzs4l,ortho-bromobenzoic acid,attercop-chm at111657 |
| IUPAC Name | 2-bromobenzoic acid |
| InChI Key | XRXMNWGCKISMOH-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO2 |
3-Bromobenzamide 98.0+%, TCI America™
CAS: 22726-00-7 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD00017127 InChI Key: ODJFDWIECLJWSR-UHFFFAOYSA-N Synonym: m-bromobenzamide,benzamide, 3-bromo,3-bromo-benzamide,benzamide, m-bromo,3-carbamoyl bromobenzene,3-bromanylbenzamide,pubchem3734,3-bromophenylcarboxamide,acmc-209fyc,3-bromobenzoic acid amide PubChem CID: 89807 IUPAC Name: 3-bromobenzamide SMILES: C1=CC(=CC(=C1)Br)C(=O)N
| PubChem CID | 89807 |
|---|---|
| CAS | 22726-00-7 |
| Molecular Weight (g/mol) | 200.035 |
| MDL Number | MFCD00017127 |
| SMILES | C1=CC(=CC(=C1)Br)C(=O)N |
| Synonym | m-bromobenzamide,benzamide, 3-bromo,3-bromo-benzamide,benzamide, m-bromo,3-carbamoyl bromobenzene,3-bromanylbenzamide,pubchem3734,3-bromophenylcarboxamide,acmc-209fyc,3-bromobenzoic acid amide |
| IUPAC Name | 3-bromobenzamide |
| InChI Key | ODJFDWIECLJWSR-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
3-Fluoro-4-n-octyloxybenzoic Acid 97.0+%, TCI America™
CAS: 326-78-3 Molecular Formula: C15H21FO3 Molecular Weight (g/mol): 268.328 MDL Number: MFCD00191649 InChI Key: SQVFTDZEUGEJTQ-UHFFFAOYSA-N PubChem CID: 593523 IUPAC Name: 3-fluoro-4-octoxybenzoic acid SMILES: CCCCCCCCOC1=C(C=C(C=C1)C(=O)O)F
| PubChem CID | 593523 |
|---|---|
| CAS | 326-78-3 |
| Molecular Weight (g/mol) | 268.328 |
| MDL Number | MFCD00191649 |
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)C(=O)O)F |
| IUPAC Name | 3-fluoro-4-octoxybenzoic acid |
| InChI Key | SQVFTDZEUGEJTQ-UHFFFAOYSA-N |
| Molecular Formula | C15H21FO3 |
2,4-Dibromobenzoic Acid 98.0+%, TCI America™
CAS: 611-00-7 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.92 MDL Number: MFCD00234253 InChI Key: NAGGYODWMPFKJQ-UHFFFAOYSA-N PubChem CID: 11896 IUPAC Name: 2,4-dibromobenzoic acid SMILES: OC(=O)C1=CC=C(Br)C=C1Br
| PubChem CID | 11896 |
|---|---|
| CAS | 611-00-7 |
| Molecular Weight (g/mol) | 279.92 |
| MDL Number | MFCD00234253 |
| SMILES | OC(=O)C1=CC=C(Br)C=C1Br |
| IUPAC Name | 2,4-dibromobenzoic acid |
| InChI Key | NAGGYODWMPFKJQ-UHFFFAOYSA-N |
| Molecular Formula | C7H4Br2O2 |
2-Chloro-4-nitrobenzamide 98.0+%, TCI America™
CAS: 3011-89-0 Molecular Formula: C7H5ClN2O3 Molecular Weight (g/mol): 200.578 MDL Number: MFCD00017119 InChI Key: GFGSZUNNBQXGMK-UHFFFAOYSA-N Synonym: aklomide,aklomix,clomide,alkomide,benzamide, 2-chloro-4-nitro,component of aklomix,component of novastat-w,unii-b0e341ra20,2-chloro-4-nitro benzamide,dsstox_cid_21405 PubChem CID: 2075 IUPAC Name: 2-chloro-4-nitrobenzamide SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N
| PubChem CID | 2075 |
|---|---|
| CAS | 3011-89-0 |
| Molecular Weight (g/mol) | 200.578 |
| MDL Number | MFCD00017119 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N |
| Synonym | aklomide,aklomix,clomide,alkomide,benzamide, 2-chloro-4-nitro,component of aklomix,component of novastat-w,unii-b0e341ra20,2-chloro-4-nitro benzamide,dsstox_cid_21405 |
| IUPAC Name | 2-chloro-4-nitrobenzamide |
| InChI Key | GFGSZUNNBQXGMK-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClN2O3 |
4-Aminosalicylic Acid 98.0+%, TCI America™
CAS: 65-49-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007789 InChI Key: WUBBRNOQWQTFEX-UHFFFAOYSA-N Synonym: 4-aminosalicylic acid,aminosalicylic acid,p-aminosalicylic acid,rezipas,pamisyl,parasalindon,aminopar,deapasil,ferrosan,apacil PubChem CID: 4649 ChEBI: CHEBI:27565 IUPAC Name: 4-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)O)C(=O)O
| PubChem CID | 4649 |
|---|---|
| CAS | 65-49-6 |
| Molecular Weight (g/mol) | 153.137 |
| ChEBI | CHEBI:27565 |
| MDL Number | MFCD00007789 |
| SMILES | C1=CC(=C(C=C1N)O)C(=O)O |
| Synonym | 4-aminosalicylic acid,aminosalicylic acid,p-aminosalicylic acid,rezipas,pamisyl,parasalindon,aminopar,deapasil,ferrosan,apacil |
| IUPAC Name | 4-amino-2-hydroxybenzoic acid |
| InChI Key | WUBBRNOQWQTFEX-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
4-Fluorobenzoic Acid 98.0+%, TCI America™
CAS: 456-22-4 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.113 MDL Number: MFCD00002530 InChI Key: BBYDXOIZLAWGSL-UHFFFAOYSA-N Synonym: p-fluorobenzoic acid,benzoic acid, 4-fluoro,para-fluorobenzoic acid,4-fluoro-benzoic acid,benzoic acid, p-fluoro,unii-v5roo2hou4,p-fluoro-benzoic acid,v5roo2hou4,4-fluorobenzoatd,p-flurobenzoic acid PubChem CID: 9973 ChEBI: CHEBI:20364 IUPAC Name: 4-fluorobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)F
| PubChem CID | 9973 |
|---|---|
| CAS | 456-22-4 |
| Molecular Weight (g/mol) | 140.113 |
| ChEBI | CHEBI:20364 |
| MDL Number | MFCD00002530 |
| SMILES | C1=CC(=CC=C1C(=O)O)F |
| Synonym | p-fluorobenzoic acid,benzoic acid, 4-fluoro,para-fluorobenzoic acid,4-fluoro-benzoic acid,benzoic acid, p-fluoro,unii-v5roo2hou4,p-fluoro-benzoic acid,v5roo2hou4,4-fluorobenzoatd,p-flurobenzoic acid |
| IUPAC Name | 4-fluorobenzoic acid |
| InChI Key | BBYDXOIZLAWGSL-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
Ethyl 4-Chlorobenzoate 96.0+%, TCI America™
CAS: 7335-27-5 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.62 MDL Number: MFCD00013645 InChI Key: RWBYCMPOFNRISR-UHFFFAOYSA-N Synonym: ethyl p-chlorobenzoate,benzoic acid, 4-chloro-, ethyl ester,ethyl-4-chlorobenzoate,p-ethoxycarbonyl phenyl chloride,ethyl4-chlorobenzoate,rarechem al bi 0077,4-chlorobenzoic acid ethyl ester,ethyl p-chlorobenzate,benzoic acid, p-chloro-, ethyl ester,pubchem3705 PubChem CID: 81785 IUPAC Name: ethyl 4-chlorobenzoate SMILES: CCOC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 81785 |
|---|---|
| CAS | 7335-27-5 |
| Molecular Weight (g/mol) | 184.62 |
| MDL Number | MFCD00013645 |
| SMILES | CCOC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | ethyl p-chlorobenzoate,benzoic acid, 4-chloro-, ethyl ester,ethyl-4-chlorobenzoate,p-ethoxycarbonyl phenyl chloride,ethyl4-chlorobenzoate,rarechem al bi 0077,4-chlorobenzoic acid ethyl ester,ethyl p-chlorobenzate,benzoic acid, p-chloro-, ethyl ester,pubchem3705 |
| IUPAC Name | ethyl 4-chlorobenzoate |
| InChI Key | RWBYCMPOFNRISR-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO2 |
2,4-Dichlorobenzohydrazide 98.0+%, TCI America™
CAS: 5814-06-2 Molecular Formula: C7H6Cl2N2O Molecular Weight (g/mol): 205.04 MDL Number: MFCD00025113 InChI Key: QOJQHOGSXXSMKX-UHFFFAOYSA-N Synonym: 2,4-dichlorobenzhydrazide,2,4-dichlorobenzoic acid hydrazide,2,4-dichlorobenzenecarbohydrazide,acmc-1akyd,2,4-dichlorobenzoylhydrazine,2,4-dichlor-benzoyl-hydrazin,2,4-dichlorobenzoic hydrazide,benzoic acid,2,4-dichloro-, hydrazide,benzoic acid, 2,4-dichloro-, hydrazide PubChem CID: 138596 IUPAC Name: 2,4-dichlorobenzohydrazide SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)NN
| PubChem CID | 138596 |
|---|---|
| CAS | 5814-06-2 |
| Molecular Weight (g/mol) | 205.04 |
| MDL Number | MFCD00025113 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)NN |
| Synonym | 2,4-dichlorobenzhydrazide,2,4-dichlorobenzoic acid hydrazide,2,4-dichlorobenzenecarbohydrazide,acmc-1akyd,2,4-dichlorobenzoylhydrazine,2,4-dichlor-benzoyl-hydrazin,2,4-dichlorobenzoic hydrazide,benzoic acid,2,4-dichloro-, hydrazide,benzoic acid, 2,4-dichloro-, hydrazide |
| IUPAC Name | 2,4-dichlorobenzohydrazide |
| InChI Key | QOJQHOGSXXSMKX-UHFFFAOYSA-N |
| Molecular Formula | C7H6Cl2N2O |
3-Amino-4-methoxybiphenyl 98.0+%, TCI America™
CAS: 39811-17-1 Molecular Formula: C13H13NO Molecular Weight (g/mol): 199.253 MDL Number: MFCD00007790 InChI Key: DTYBRSLINXBXMP-UHFFFAOYSA-N Synonym: 5-phenyl-o-anisidine,3-amino-4-methoxybiphenyl,4-methoxy-1,1'-biphenyl-3-amine,2-amino-4-phenylanisole,4-methoxybiphenyl-3-amine,1,1'-biphenyl-3-amine, 4-methoxy,2-methoxy-5-phenylphenylamine,acmc-209j7y,2-methoxy-5-phenyl-aniline,3-amino-4-methoxy-biphenyl PubChem CID: 123489 IUPAC Name: 2-methoxy-5-phenylaniline SMILES: COC1=C(C=C(C=C1)C2=CC=CC=C2)N
| PubChem CID | 123489 |
|---|---|
| CAS | 39811-17-1 |
| Molecular Weight (g/mol) | 199.253 |
| MDL Number | MFCD00007790 |
| SMILES | COC1=C(C=C(C=C1)C2=CC=CC=C2)N |
| Synonym | 5-phenyl-o-anisidine,3-amino-4-methoxybiphenyl,4-methoxy-1,1'-biphenyl-3-amine,2-amino-4-phenylanisole,4-methoxybiphenyl-3-amine,1,1'-biphenyl-3-amine, 4-methoxy,2-methoxy-5-phenylphenylamine,acmc-209j7y,2-methoxy-5-phenyl-aniline,3-amino-4-methoxy-biphenyl |
| IUPAC Name | 2-methoxy-5-phenylaniline |
| InChI Key | DTYBRSLINXBXMP-UHFFFAOYSA-N |
| Molecular Formula | C13H13NO |
(4-Bromophenyl)thiourea 98.0+%, TCI America™
CAS: 2646-30-2 Molecular Formula: C7H7BrN2S Molecular Weight (g/mol): 231.11 MDL Number: MFCD00041176 InChI Key: MRVQULNOKCOGHC-UHFFFAOYSA-N Synonym: 1-4-bromophenyl thiourea,4-bromophenyl thiourea,n-p-bromophenylthiourea,p-bromophenylthiourea,1-4-bromophenyl-2-thiourea,thiourea, 4-bromophenyl,n-4-bromophenyl thiourea,urea, 1-p-bromophenyl-2-thio,p-bromophenyl thiourea PubChem CID: 2735620 ChEBI: CHEBI:34391 IUPAC Name: (4-bromophenyl)thiourea SMILES: NC(=S)NC1=CC=C(Br)C=C1
| PubChem CID | 2735620 |
|---|---|
| CAS | 2646-30-2 |
| Molecular Weight (g/mol) | 231.11 |
| ChEBI | CHEBI:34391 |
| MDL Number | MFCD00041176 |
| SMILES | NC(=S)NC1=CC=C(Br)C=C1 |
| Synonym | 1-4-bromophenyl thiourea,4-bromophenyl thiourea,n-p-bromophenylthiourea,p-bromophenylthiourea,1-4-bromophenyl-2-thiourea,thiourea, 4-bromophenyl,n-4-bromophenyl thiourea,urea, 1-p-bromophenyl-2-thio,p-bromophenyl thiourea |
| IUPAC Name | (4-bromophenyl)thiourea |
| InChI Key | MRVQULNOKCOGHC-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrN2S |
(S)-N-(2-Benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide 98.0+%, TCI America™
CAS: 96293-17-3 Molecular Formula: C25H24N2O2 Molecular Weight (g/mol): 384.479 MDL Number: MFCD00145260 InChI Key: IPSABLMEYFYEHS-QHCPKHFHSA-N PubChem CID: 980835 IUPAC Name: (2S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide SMILES: C1CC(N(C1)CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4
| PubChem CID | 980835 |
|---|---|
| CAS | 96293-17-3 |
| Molecular Weight (g/mol) | 384.479 |
| MDL Number | MFCD00145260 |
| SMILES | C1CC(N(C1)CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4 |
| IUPAC Name | (2S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide |
| InChI Key | IPSABLMEYFYEHS-QHCPKHFHSA-N |
| Molecular Formula | C25H24N2O2 |
4-Bromo-2,2-diphenylbutyronitrile 95.0+%, TCI America™
CAS: 39186-58-8 Molecular Formula: C16H14BrN Molecular Weight (g/mol): 300.199 MDL Number: MFCD00001845 InChI Key: IGYSFJHVFHNOEI-UHFFFAOYSA-N Synonym: 4-bromo-2,2-diphenylbutyronitrile,2,2-diphenyl-4-bromobutyronitrile,4-bromo-2,2-diphenyl-butyronitrile,3-cyano-3,3-diphenylpropyl bromide,benzeneacetonitrile, .alpha.-2-bromoethyl-.alpha.-phenyl,acmc-1csza,butyronitrile,2-diphenyl,ksc495i2r,aronis25014,bromoethyl diphenyl acetonitrile PubChem CID: 96575 IUPAC Name: 4-bromo-2,2-diphenylbutanenitrile SMILES: C1=CC=C(C=C1)C(CCBr)(C#N)C2=CC=CC=C2
| PubChem CID | 96575 |
|---|---|
| CAS | 39186-58-8 |
| Molecular Weight (g/mol) | 300.199 |
| MDL Number | MFCD00001845 |
| SMILES | C1=CC=C(C=C1)C(CCBr)(C#N)C2=CC=CC=C2 |
| Synonym | 4-bromo-2,2-diphenylbutyronitrile,2,2-diphenyl-4-bromobutyronitrile,4-bromo-2,2-diphenyl-butyronitrile,3-cyano-3,3-diphenylpropyl bromide,benzeneacetonitrile, .alpha.-2-bromoethyl-.alpha.-phenyl,acmc-1csza,butyronitrile,2-diphenyl,ksc495i2r,aronis25014,bromoethyl diphenyl acetonitrile |
| IUPAC Name | 4-bromo-2,2-diphenylbutanenitrile |
| InChI Key | IGYSFJHVFHNOEI-UHFFFAOYSA-N |
| Molecular Formula | C16H14BrN |