Benzene and substituted derivatives
Filtered Search Results
1,2,3-Trimethoxybenzene, 98+%
CAS: 634-36-6 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00008358 InChI Key: CRUILBNAQILVHZ-UHFFFAOYSA-N Synonym: methylsyringol,pyrogallol trimethyl ether,trimethoxybenzene,benzene, 1,2,3-trimethoxy,tri-o-methylpyrogallol,benzene, trimethoxy,unii-mre1o894fg,1,2,3-trimethoxy benzene,mre1o894fg,3,4,5-trimethoxybenzene PubChem CID: 12462 ChEBI: CHEBI:86529 IUPAC Name: 1,2,3-trimethoxybenzene SMILES: COC1=C(C(=CC=C1)OC)OC
| PubChem CID | 12462 |
|---|---|
| CAS | 634-36-6 |
| Molecular Weight (g/mol) | 168.192 |
| ChEBI | CHEBI:86529 |
| MDL Number | MFCD00008358 |
| SMILES | COC1=C(C(=CC=C1)OC)OC |
| Synonym | methylsyringol,pyrogallol trimethyl ether,trimethoxybenzene,benzene, 1,2,3-trimethoxy,tri-o-methylpyrogallol,benzene, trimethoxy,unii-mre1o894fg,1,2,3-trimethoxy benzene,mre1o894fg,3,4,5-trimethoxybenzene |
| IUPAC Name | 1,2,3-trimethoxybenzene |
| InChI Key | CRUILBNAQILVHZ-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
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 3-hydroxy-4-nitrobenzoate, 98%
CAS: 713-52-0 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00016997 InChI Key: UEGCRFNWTGYVKX-UHFFFAOYSA-N Synonym: benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate PubChem CID: 294866 IUPAC Name: methyl 3-hydroxy-4-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O
| PubChem CID | 294866 |
|---|---|
| CAS | 713-52-0 |
| Molecular Weight (g/mol) | 197.146 |
| MDL Number | MFCD00016997 |
| SMILES | COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O |
| Synonym | benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate |
| IUPAC Name | methyl 3-hydroxy-4-nitrobenzoate |
| InChI Key | UEGCRFNWTGYVKX-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
Homophthalic acid, 98%
CAS: 89-51-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00004326 InChI Key: ZHQLTKAVLJKSKR-UHFFFAOYSA-N Synonym: homophthalic acid,2-carboxymethyl benzoic acid,benzeneacetic acid, 2-carboxy,2-carboxyphenylacetic acid,2-carboxybenzeneacetic acid,alpha-carboxy-o-toluic acid,o-carboxymethyl benzoic acid,2-carboxyphenyl acetic acid,o-toluic acid, alpha-carboxy,toluene-alpha,2-dicarboxylic acid PubChem CID: 66643 IUPAC Name: 2-(carboxymethyl)benzoic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)C(=O)O
| PubChem CID | 66643 |
|---|---|
| CAS | 89-51-0 |
| Molecular Weight (g/mol) | 180.16 |
| MDL Number | MFCD00004326 |
| SMILES | C1=CC=C(C(=C1)CC(=O)O)C(=O)O |
| Synonym | homophthalic acid,2-carboxymethyl benzoic acid,benzeneacetic acid, 2-carboxy,2-carboxyphenylacetic acid,2-carboxybenzeneacetic acid,alpha-carboxy-o-toluic acid,o-carboxymethyl benzoic acid,2-carboxyphenyl acetic acid,o-toluic acid, alpha-carboxy,toluene-alpha,2-dicarboxylic acid |
| IUPAC Name | 2-(carboxymethyl)benzoic acid |
| InChI Key | ZHQLTKAVLJKSKR-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
4-Chlorobenzoyl chloride, 99+%
CAS: 122-01-0 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 InChI Key: RKIDDEGICSMIJA-UHFFFAOYSA-N Synonym: benzoyl chloride, 4-chloro,p-chlorobenzoyl chloride,para-chlorobenzoyl chloride,4-chlorobenzoic acid chloride,4-chlorobenzoylchloride,4-chloro benzoyl chloride,benzoylchloride, 4-chloro,benzoyl chloride, p-chloro,ccris 8935,pcboc PubChem CID: 8501 ChEBI: CHEBI:60716 IUPAC Name: 4-chlorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)Cl
| PubChem CID | 8501 |
|---|---|
| CAS | 122-01-0 |
| Molecular Weight (g/mol) | 175.01 |
| ChEBI | CHEBI:60716 |
| SMILES | C1=CC(=CC=C1C(=O)Cl)Cl |
| Synonym | benzoyl chloride, 4-chloro,p-chlorobenzoyl chloride,para-chlorobenzoyl chloride,4-chlorobenzoic acid chloride,4-chlorobenzoylchloride,4-chloro benzoyl chloride,benzoylchloride, 4-chloro,benzoyl chloride, p-chloro,ccris 8935,pcboc |
| IUPAC Name | 4-chlorobenzoyl chloride |
| InChI Key | RKIDDEGICSMIJA-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
1-(Mesitylene-2-sulfonyl)-3-nitro-1,2,4-triazole, 98%
CAS: 74257-00-4 Molecular Formula: C11H12N4O4S Molecular Weight (g/mol): 296.30 MDL Number: MFCD00009754 InChI Key: SFYDWLYPIXHPML-UHFFFAOYSA-N Synonym: 1-mesitylsulfonyl-3-nitro-1h-1,2,4-triazole,1-mesitylene-2-sulfonyl-3-nitro-1,2,4-triazole,msnt,1-mesitylene-2-sulfonyl-3-nitro-1h-1,2,4-triazole,3-nitro-1-2,4,6-trimethylphenyl sulfonyl-1,2,4-triazole,1-2-mesitylenesulfonyl-3-nitro-1h-1,2,4-triazole,2,4,6-trimethylphenyl-3-nitro-1,2,4-triazol-1-yl sulfone,3-nitro-1-2,4,6-trimethylbenzenesulfonyl-1h-1,2,4-triazole,1h-1,2,4-triazole, 3-nitro-1-2,4,6-trimethylphenyl sulfonyl PubChem CID: 716901 IUPAC Name: 3-nitro-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole SMILES: CC1=CC(C)=C(C(C)=C1)S(=O)(=O)N1C=NC(=N1)[N+]([O-])=O
| PubChem CID | 716901 |
|---|---|
| CAS | 74257-00-4 |
| Molecular Weight (g/mol) | 296.30 |
| MDL Number | MFCD00009754 |
| SMILES | CC1=CC(C)=C(C(C)=C1)S(=O)(=O)N1C=NC(=N1)[N+]([O-])=O |
| Synonym | 1-mesitylsulfonyl-3-nitro-1h-1,2,4-triazole,1-mesitylene-2-sulfonyl-3-nitro-1,2,4-triazole,msnt,1-mesitylene-2-sulfonyl-3-nitro-1h-1,2,4-triazole,3-nitro-1-2,4,6-trimethylphenyl sulfonyl-1,2,4-triazole,1-2-mesitylenesulfonyl-3-nitro-1h-1,2,4-triazole,2,4,6-trimethylphenyl-3-nitro-1,2,4-triazol-1-yl sulfone,3-nitro-1-2,4,6-trimethylbenzenesulfonyl-1h-1,2,4-triazole,1h-1,2,4-triazole, 3-nitro-1-2,4,6-trimethylphenyl sulfonyl |
| IUPAC Name | 3-nitro-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole |
| InChI Key | SFYDWLYPIXHPML-UHFFFAOYSA-N |
| Molecular Formula | C11H12N4O4S |
2,6-Difluorophenylacetic acid, 98%
CAS: 85068-28-6 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00010001 InChI Key: FUGDCKXBUZFEON-UHFFFAOYSA-N Synonym: 2,6-difluorophenylacetic acid,2-2,6-difluorophenyl acetic acid,2,6-difluorophenyl acetic acid,2,6-difluoro-benzene acetic acid,benzeneacetic acid, 2,6-difluoro,2,6-difluorophenylaceticacid,pubchem8397,acmc-209xw7,rarechem al bo 0249 PubChem CID: 123585 IUPAC Name: 2-(2,6-difluorophenyl)acetic acid SMILES: C1=CC(=C(C(=C1)F)CC(=O)O)F
| PubChem CID | 123585 |
|---|---|
| CAS | 85068-28-6 |
| Molecular Weight (g/mol) | 172.131 |
| MDL Number | MFCD00010001 |
| SMILES | C1=CC(=C(C(=C1)F)CC(=O)O)F |
| Synonym | 2,6-difluorophenylacetic acid,2-2,6-difluorophenyl acetic acid,2,6-difluorophenyl acetic acid,2,6-difluoro-benzene acetic acid,benzeneacetic acid, 2,6-difluoro,2,6-difluorophenylaceticacid,pubchem8397,acmc-209xw7,rarechem al bo 0249 |
| IUPAC Name | 2-(2,6-difluorophenyl)acetic acid |
| InChI Key | FUGDCKXBUZFEON-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
Potassium 3-bromophenyltrifluoroborate, 97%
CAS: 374564-34-8 Molecular Formula: C6H4BBrF3K Molecular Weight (g/mol): 262.91 MDL Number: MFCD02093977 InChI Key: NIDYRVJZTADCGO-UHFFFAOYSA-N Synonym: potassium 3-bromophenyl trifluoroborate,potassium 3-bromophenyltrifluoroborate,potassium 3-bromophenyl trifluoroboranuide,amtb081,potassium 3-bromophenyl-trifluoroboranuide,potassium ion 3-bromophenyl trifluoroboranuide,potassium 3-bromophenyl trifluoro borate 1-,potassium 3-bromophenyl-tris fluoranyl boranuide PubChem CID: 23677642 IUPAC Name: potassium;(3-bromophenyl)-trifluoroboranuide SMILES: [K+].F[B-](F)(F)C1=CC(Br)=CC=C1
| PubChem CID | 23677642 |
|---|---|
| CAS | 374564-34-8 |
| Molecular Weight (g/mol) | 262.91 |
| MDL Number | MFCD02093977 |
| SMILES | [K+].F[B-](F)(F)C1=CC(Br)=CC=C1 |
| Synonym | potassium 3-bromophenyl trifluoroborate,potassium 3-bromophenyltrifluoroborate,potassium 3-bromophenyl trifluoroboranuide,amtb081,potassium 3-bromophenyl-trifluoroboranuide,potassium ion 3-bromophenyl trifluoroboranuide,potassium 3-bromophenyl trifluoro borate 1-,potassium 3-bromophenyl-tris fluoranyl boranuide |
| IUPAC Name | potassium;(3-bromophenyl)-trifluoroboranuide |
| InChI Key | NIDYRVJZTADCGO-UHFFFAOYSA-N |
| Molecular Formula | C6H4BBrF3K |
2-Fluorobenzoic acid, 98+%
CAS: 445-29-4 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.113 MDL Number: MFCD00002405 InChI Key: NSTREUWFTAOOKS-UHFFFAOYSA-N Synonym: o-fluorobenzoic acid,benzoic acid, 2-fluoro,ortho-fluorobenzoic acid,o-fluorbenzoesaeure,benzoic acid, o-fluoro,fluorobenzoic acid,unii-64uz32koo4,o-fluorbenzoesaeure german,ofba,2-fluoro-benzoic acid PubChem CID: 9935 ChEBI: CHEBI:19577 IUPAC Name: 2-fluorobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)F
| PubChem CID | 9935 |
|---|---|
| CAS | 445-29-4 |
| Molecular Weight (g/mol) | 140.113 |
| ChEBI | CHEBI:19577 |
| MDL Number | MFCD00002405 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)F |
| Synonym | o-fluorobenzoic acid,benzoic acid, 2-fluoro,ortho-fluorobenzoic acid,o-fluorbenzoesaeure,benzoic acid, o-fluoro,fluorobenzoic acid,unii-64uz32koo4,o-fluorbenzoesaeure german,ofba,2-fluoro-benzoic acid |
| IUPAC Name | 2-fluorobenzoic acid |
| InChI Key | NSTREUWFTAOOKS-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
Benzyl methyl ether, 97%
CAS: 538-86-3 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00025901 InChI Key: GQKZBCPTCWJTAS-UHFFFAOYSA-N Synonym: benzyl methyl ether,methoxymethyl benzene,methyl benzyl ether,benzene, methoxymethyl,ether, benzyl methyl,benzylmethylether,unii-f22rls78bd,.alpha.-methoxytoluene,f22rls78bd,methoxyphenylmethane PubChem CID: 10869 IUPAC Name: methoxymethylbenzene SMILES: COCC1=CC=CC=C1
| PubChem CID | 10869 |
|---|---|
| CAS | 538-86-3 |
| Molecular Weight (g/mol) | 122.167 |
| MDL Number | MFCD00025901 |
| SMILES | COCC1=CC=CC=C1 |
| Synonym | benzyl methyl ether,methoxymethyl benzene,methyl benzyl ether,benzene, methoxymethyl,ether, benzyl methyl,benzylmethylether,unii-f22rls78bd,.alpha.-methoxytoluene,f22rls78bd,methoxyphenylmethane |
| IUPAC Name | methoxymethylbenzene |
| InChI Key | GQKZBCPTCWJTAS-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
4-Ethylphenylacetonitrile, 97%
CAS: 51632-28-1 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.21 MDL Number: MFCD00040893 InChI Key: NCPKDFDQDZMXCO-UHFFFAOYSA-N Synonym: 4-ethylphenylacetonitrile,2-4-ethylphenyl acetonitrile,4-ethylphenyl acetonitrile,benzeneacetonitrile, 4-ethyl,2-4-ethylphenyl ethanenitrile,4-ethylbenzylcyanide,p-ethylphenylacetonitrile,acmc-1ao1h PubChem CID: 142867 IUPAC Name: 2-(4-ethylphenyl)acetonitrile SMILES: CCC1=CC=C(CC#N)C=C1
| PubChem CID | 142867 |
|---|---|
| CAS | 51632-28-1 |
| Molecular Weight (g/mol) | 145.21 |
| MDL Number | MFCD00040893 |
| SMILES | CCC1=CC=C(CC#N)C=C1 |
| Synonym | 4-ethylphenylacetonitrile,2-4-ethylphenyl acetonitrile,4-ethylphenyl acetonitrile,benzeneacetonitrile, 4-ethyl,2-4-ethylphenyl ethanenitrile,4-ethylbenzylcyanide,p-ethylphenylacetonitrile,acmc-1ao1h |
| IUPAC Name | 2-(4-ethylphenyl)acetonitrile |
| InChI Key | NCPKDFDQDZMXCO-UHFFFAOYSA-N |
| Molecular Formula | C10H11N |
2-Amino-3,5-dimethylbenzoic acid, 98%, Thermo Scientific Chemicals
CAS: 14438-32-5 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00017099 InChI Key: GIMYRAQQQBFFFJ-UHFFFAOYSA-N Synonym: 3,5-dimethylanthranilic acid,2-amino-3,5-dimethyl-benzoic acid,2-amino-3,5-dimethyl benzoic acid,benzoic acid, 2-amino-3,5-dimethyl,pubchem4685,3,5-dimethylanthranilic,acmc-1bqlm,intermediates-zcf02106,bidd:gt0362,2-amino-3,5-dimethylbenzoicacid PubChem CID: 259834 IUPAC Name: 2-amino-3,5-dimethylbenzoic acid SMILES: CC1=CC(=C(C(=C1)C(=O)O)N)C
| PubChem CID | 259834 |
|---|---|
| CAS | 14438-32-5 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00017099 |
| SMILES | CC1=CC(=C(C(=C1)C(=O)O)N)C |
| Synonym | 3,5-dimethylanthranilic acid,2-amino-3,5-dimethyl-benzoic acid,2-amino-3,5-dimethyl benzoic acid,benzoic acid, 2-amino-3,5-dimethyl,pubchem4685,3,5-dimethylanthranilic,acmc-1bqlm,intermediates-zcf02106,bidd:gt0362,2-amino-3,5-dimethylbenzoicacid |
| IUPAC Name | 2-amino-3,5-dimethylbenzoic acid |
| InChI Key | GIMYRAQQQBFFFJ-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
TraceCERT™ Lilial, 2000 μg/mL, Certified Reference Material, MilliporeSigma™ Supelco™
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.
2-Bromo-5-fluoroaniline, 98%
CAS: 1003-99-2 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.015 MDL Number: MFCD00070750 InChI Key: FWTXFEKVHSFTDQ-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-5-fluoro,2-bromo-5-fluorobenzenamine,2-bromo-5-fluoro-aniline,2-bromo-5-fluoro-phenylamine,2-bromo-5-fluoro-benzenamine,2-bromo-5-fluorophenylamine,pubchem1524,5-fluoro-2-bromoaniline,2-bromo-5-fluoro aniline,acmc-1c3a5 PubChem CID: 2773317 IUPAC Name: 2-bromo-5-fluoroaniline SMILES: C1=CC(=C(C=C1F)N)Br
| PubChem CID | 2773317 |
|---|---|
| CAS | 1003-99-2 |
| Molecular Weight (g/mol) | 190.015 |
| MDL Number | MFCD00070750 |
| SMILES | C1=CC(=C(C=C1F)N)Br |
| Synonym | benzenamine, 2-bromo-5-fluoro,2-bromo-5-fluorobenzenamine,2-bromo-5-fluoro-aniline,2-bromo-5-fluoro-phenylamine,2-bromo-5-fluoro-benzenamine,2-bromo-5-fluorophenylamine,pubchem1524,5-fluoro-2-bromoaniline,2-bromo-5-fluoro aniline,acmc-1c3a5 |
| IUPAC Name | 2-bromo-5-fluoroaniline |
| InChI Key | FWTXFEKVHSFTDQ-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
Sodium 3-nitrobenzoate, 94%, may contain up to ca 10% water
CAS: 827-95-2 Molecular Formula: C7H4NNaO4 Molecular Weight (g/mol): 189.10 MDL Number: MFCD00150535,MFCD00051097 InChI Key: MUADFEZFSKAZLT-UHFFFAOYSA-M Synonym: sodium 3-nitrobenzoate,3-nitrobenzoic acid sodium salt,benzoic acid, 3-nitro-, sodium salt,unii-i1eq837b3j,m-nitrobenzoic acid sodium salt,sodium m-nitrobenzoate,benzoic acid, 3-nitro-, sodium salt 1:1,3-nitrobenzoic acid, sodium salt,acmc-209pqe,dsstox_cid_24733 PubChem CID: 70014 IUPAC Name: sodium;3-nitrobenzoate SMILES: [Na+].[O-]C(=O)C1=CC=CC(=C1)[N+]([O-])=O
| PubChem CID | 70014 |
|---|---|
| CAS | 827-95-2 |
| Molecular Weight (g/mol) | 189.10 |
| MDL Number | MFCD00150535,MFCD00051097 |
| SMILES | [Na+].[O-]C(=O)C1=CC=CC(=C1)[N+]([O-])=O |
| Synonym | sodium 3-nitrobenzoate,3-nitrobenzoic acid sodium salt,benzoic acid, 3-nitro-, sodium salt,unii-i1eq837b3j,m-nitrobenzoic acid sodium salt,sodium m-nitrobenzoate,benzoic acid, 3-nitro-, sodium salt 1:1,3-nitrobenzoic acid, sodium salt,acmc-209pqe,dsstox_cid_24733 |
| IUPAC Name | sodium;3-nitrobenzoate |
| InChI Key | MUADFEZFSKAZLT-UHFFFAOYSA-M |
| Molecular Formula | C7H4NNaO4 |