Benzene and substituted derivatives
Filtered Search Results
2-Nitrobenzoic acid, 95%
CAS: 552-16-9 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007137 InChI Key: SLAMLWHELXOEJZ-UHFFFAOYSA-N Synonym: 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid PubChem CID: 11087 ChEBI: CHEBI:25620 SMILES: C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]
| PubChem CID | 11087 |
|---|---|
| CAS | 552-16-9 |
| Molecular Weight (g/mol) | 167.12 |
| ChEBI | CHEBI:25620 |
| MDL Number | MFCD00007137 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-] |
| Synonym | 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid |
| InChI Key | SLAMLWHELXOEJZ-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |
2,4-Dimethylstyrene, 97%, stabilized
CAS: 2234-20-0 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.21 MDL Number: MFCD00014937 InChI Key: OEVVKKAVYQFQNV-UHFFFAOYSA-N Synonym: 2,4-dimethylstyrene,4-vinyl-m-xylene,styrene, 2,4-dimethyl,1,3-dimethyl-4-vinylbenzene,1-vinyl-2,4-dimethylbenzene,1,3-dimethyl-4-ethenylbenzene,benzene, 1-ethenyl-2,4-dimethyl,unii-543es1o25e,styrene,4-dimethyl,acmc-1cb1s PubChem CID: 16694 IUPAC Name: 1-ethenyl-2,4-dimethylbenzene SMILES: CC1=CC(=C(C=C1)C=C)C
| PubChem CID | 16694 |
|---|---|
| CAS | 2234-20-0 |
| Molecular Weight (g/mol) | 132.21 |
| MDL Number | MFCD00014937 |
| SMILES | CC1=CC(=C(C=C1)C=C)C |
| Synonym | 2,4-dimethylstyrene,4-vinyl-m-xylene,styrene, 2,4-dimethyl,1,3-dimethyl-4-vinylbenzene,1-vinyl-2,4-dimethylbenzene,1,3-dimethyl-4-ethenylbenzene,benzene, 1-ethenyl-2,4-dimethyl,unii-543es1o25e,styrene,4-dimethyl,acmc-1cb1s |
| IUPAC Name | 1-ethenyl-2,4-dimethylbenzene |
| InChI Key | OEVVKKAVYQFQNV-UHFFFAOYSA-N |
| Molecular Formula | C10H12 |
2-Amino-5-methoxybenzoic acid, 98+%
CAS: 6705-03-9 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD00016509 InChI Key: UMKSAURFQFUULT-UHFFFAOYSA-N Synonym: 5-methoxyanthranilic acid,2-amino-5-methoxybenzoicacid,2-amino-5-methoxy-benzoic acid,benzoic acid, 2-amino-5-methoxy,pubchem2544,acmc-1b7jp,5-methoxy anthranilic acid,5-methoxyanththranillic acid,ksc495k4p,anthranilic acid, 5-methoxy PubChem CID: 277930 IUPAC Name: 2-amino-5-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1)N)C(=O)O
| PubChem CID | 277930 |
|---|---|
| CAS | 6705-03-9 |
| Molecular Weight (g/mol) | 167.16 |
| MDL Number | MFCD00016509 |
| SMILES | COC1=CC(=C(C=C1)N)C(=O)O |
| Synonym | 5-methoxyanthranilic acid,2-amino-5-methoxybenzoicacid,2-amino-5-methoxy-benzoic acid,benzoic acid, 2-amino-5-methoxy,pubchem2544,acmc-1b7jp,5-methoxy anthranilic acid,5-methoxyanththranillic acid,ksc495k4p,anthranilic acid, 5-methoxy |
| IUPAC Name | 2-amino-5-methoxybenzoic acid |
| InChI Key | UMKSAURFQFUULT-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
Tris(triphenylphosphine)rhodium(I) chloride, 98%
CAS: 14694-95-2 Molecular Formula: C54H45ClP3Rh Molecular Weight (g/mol): 925.23 MDL Number: MFCD00010016 InChI Key: IXAYKDDZKIZSPV-UHFFFAOYSA-M Synonym: chlorotris triphenylphosphine rhodium i,chlorotris triphenylphosphine rhodium,tris triphenylphosphine rhodium i chloride,tris triphenylphosphine chlororhodium,wilkinson's catalyst,unii-0fv534bkev,tris triphenylphosphine rhodium chloride,0fv534bkev,rhodium; triphenylphosphane; chloride PubChem CID: 84599 SMILES: [Cl-].[Rh+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 84599 |
|---|---|
| CAS | 14694-95-2 |
| Molecular Weight (g/mol) | 925.23 |
| MDL Number | MFCD00010016 |
| SMILES | [Cl-].[Rh+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | chlorotris triphenylphosphine rhodium i,chlorotris triphenylphosphine rhodium,tris triphenylphosphine rhodium i chloride,tris triphenylphosphine chlororhodium,wilkinson's catalyst,unii-0fv534bkev,tris triphenylphosphine rhodium chloride,0fv534bkev,rhodium; triphenylphosphane; chloride |
| InChI Key | IXAYKDDZKIZSPV-UHFFFAOYSA-M |
| Molecular Formula | C54H45ClP3Rh |
alpha-Bromo-p-tolunitrile, 98%
CAS: 17201-43-3 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD00001829 InChI Key: UMLFTCYAQPPZER-UHFFFAOYSA-N Synonym: 4-cyanobenzyl bromide,4-bromomethyl benzonitrile,p-cyanobenzyl bromide,alpha-bromo-p-tolunitrile,benzonitrile, 4-bromomethyl,4-bromomethyl-benzonitrile,alpha-bromo-p-toluonitrile,p-bromomethyl benzonitrile,4-cyano benzyl bromide,benzonitrile, p-bromomethyl PubChem CID: 86996 IUPAC Name: 4-(bromomethyl)benzonitrile SMILES: C1=CC(=CC=C1CBr)C#N
| PubChem CID | 86996 |
|---|---|
| CAS | 17201-43-3 |
| Molecular Weight (g/mol) | 196.05 |
| MDL Number | MFCD00001829 |
| SMILES | C1=CC(=CC=C1CBr)C#N |
| Synonym | 4-cyanobenzyl bromide,4-bromomethyl benzonitrile,p-cyanobenzyl bromide,alpha-bromo-p-tolunitrile,benzonitrile, 4-bromomethyl,4-bromomethyl-benzonitrile,alpha-bromo-p-toluonitrile,p-bromomethyl benzonitrile,4-cyano benzyl bromide,benzonitrile, p-bromomethyl |
| IUPAC Name | 4-(bromomethyl)benzonitrile |
| InChI Key | UMLFTCYAQPPZER-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrN |
Pentafluorobenzaldehyde, 98%
CAS: 653-37-2 Molecular Formula: C7HF5O Molecular Weight (g/mol): 196.08 MDL Number: MFCD00003303 InChI Key: QJXCFMJTJYCLFG-UHFFFAOYSA-N Synonym: pentafluorobenzaldehyde,perfluorobenzaldehyde,benzaldehyde, pentafluoro,benzaldehyde, 2,3,4,5,6-pentafluoro,unii-s9yie3jz4k,pentafluor-benzaldehyd,s9yie3jz4k,pubchem4253,pentafluoro-benzaldehyde,acmc-209nqh PubChem CID: 69558 IUPAC Name: 2,3,4,5,6-pentafluorobenzaldehyde SMILES: C(=O)C1=C(C(=C(C(=C1F)F)F)F)F
| PubChem CID | 69558 |
|---|---|
| CAS | 653-37-2 |
| Molecular Weight (g/mol) | 196.08 |
| MDL Number | MFCD00003303 |
| SMILES | C(=O)C1=C(C(=C(C(=C1F)F)F)F)F |
| Synonym | pentafluorobenzaldehyde,perfluorobenzaldehyde,benzaldehyde, pentafluoro,benzaldehyde, 2,3,4,5,6-pentafluoro,unii-s9yie3jz4k,pentafluor-benzaldehyd,s9yie3jz4k,pubchem4253,pentafluoro-benzaldehyde,acmc-209nqh |
| IUPAC Name | 2,3,4,5,6-pentafluorobenzaldehyde |
| InChI Key | QJXCFMJTJYCLFG-UHFFFAOYSA-N |
| Molecular Formula | C7HF5O |
4-Cyanobenzaldehyde, 98+%
CAS: 105-07-7 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.13 MDL Number: MFCD00003376 InChI Key: WZWIQYMTQZCSKI-UHFFFAOYSA-N Synonym: 4-cyanobenzaldehyde,benzonitrile, 4-formyl,p-cyanobenzaldehyde,p-formylbenzonitrile,benzaldehyde, p-cyano,benzonitrile, p-formyl,usaf kf-1,terephthalaldehydonitrile,p-cyanobenzenecarboxaldehyde,4-formyl-benzonitrile PubChem CID: 66042 IUPAC Name: 4-formylbenzonitrile SMILES: O=CC1=CC=C(C=C1)C#N
| PubChem CID | 66042 |
|---|---|
| CAS | 105-07-7 |
| Molecular Weight (g/mol) | 131.13 |
| MDL Number | MFCD00003376 |
| SMILES | O=CC1=CC=C(C=C1)C#N |
| Synonym | 4-cyanobenzaldehyde,benzonitrile, 4-formyl,p-cyanobenzaldehyde,p-formylbenzonitrile,benzaldehyde, p-cyano,benzonitrile, p-formyl,usaf kf-1,terephthalaldehydonitrile,p-cyanobenzenecarboxaldehyde,4-formyl-benzonitrile |
| IUPAC Name | 4-formylbenzonitrile |
| InChI Key | WZWIQYMTQZCSKI-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO |
3-Fluorophenyl isothiocyanate, 97+%
CAS: 404-72-8 Molecular Formula: C7H4FNS Molecular Weight (g/mol): 153.17 MDL Number: MFCD00004804 InChI Key: HDBACITVPQEAGG-UHFFFAOYSA-N Synonym: 3-fluorophenyl isothiocyanate,benzene, 1-fluoro-3-isothiocyanato,m-fluorophenyl isothiocyanate,3-fluorophenylisothiocyanate,isothiocyanic acid 3-fluorophenyl ester,isothiocyanic acid, m-fluorophenyl ester,1-fluoro-3-isothiocyanato-benzene,3-fluorobenzenisothiocyanate,timtec-bb sbb006700,attercop-chm at114051 PubChem CID: 9834 IUPAC Name: 1-fluoro-3-isothiocyanatobenzene SMILES: FC1=CC=CC(=C1)N=C=S
| PubChem CID | 9834 |
|---|---|
| CAS | 404-72-8 |
| Molecular Weight (g/mol) | 153.17 |
| MDL Number | MFCD00004804 |
| SMILES | FC1=CC=CC(=C1)N=C=S |
| Synonym | 3-fluorophenyl isothiocyanate,benzene, 1-fluoro-3-isothiocyanato,m-fluorophenyl isothiocyanate,3-fluorophenylisothiocyanate,isothiocyanic acid 3-fluorophenyl ester,isothiocyanic acid, m-fluorophenyl ester,1-fluoro-3-isothiocyanato-benzene,3-fluorobenzenisothiocyanate,timtec-bb sbb006700,attercop-chm at114051 |
| IUPAC Name | 1-fluoro-3-isothiocyanatobenzene |
| InChI Key | HDBACITVPQEAGG-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNS |
p-(Dimethylamino)benzaldehyde, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™
CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1
| PubChem CID | 7479 |
|---|---|
| CAS | 100-10-7 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD00003381 |
| SMILES | CN(C)C1=CC=C(C=O)C=C1 |
| Synonym | 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal |
| IUPAC Name | 4-(dimethylamino)benzaldehyde |
| InChI Key | BGNGWHSBYQYVRX-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
1,3-Diisopropylbenzene, 96%
CAS: 99-62-7 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.276 MDL Number: MFCD00008889 InChI Key: UNEATYXSUBPPKP-UHFFFAOYSA-N Synonym: 1,3-diisopropylbenzene,m-diisopropylbenzene,benzene, 1,3-bis 1-methylethyl,benzene, m-diisopropyl,m-diisopropylbenzol,1,3-bis 1-methylethyl benzene,3-isopropylcumene,unii-482vxw192e,meta-diisopropylbenzene,chembl31352 PubChem CID: 7450 IUPAC Name: 1,3-di(propan-2-yl)benzene SMILES: CC(C)C1=CC(=CC=C1)C(C)C
| PubChem CID | 7450 |
|---|---|
| CAS | 99-62-7 |
| Molecular Weight (g/mol) | 162.276 |
| MDL Number | MFCD00008889 |
| SMILES | CC(C)C1=CC(=CC=C1)C(C)C |
| Synonym | 1,3-diisopropylbenzene,m-diisopropylbenzene,benzene, 1,3-bis 1-methylethyl,benzene, m-diisopropyl,m-diisopropylbenzol,1,3-bis 1-methylethyl benzene,3-isopropylcumene,unii-482vxw192e,meta-diisopropylbenzene,chembl31352 |
| IUPAC Name | 1,3-di(propan-2-yl)benzene |
| InChI Key | UNEATYXSUBPPKP-UHFFFAOYSA-N |
| Molecular Formula | C12H18 |
2-Amino-6-nitrobenzoic acid, 97%
CAS: 50573-74-5 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00034785 InChI Key: GGKYLHNARFFORH-UHFFFAOYSA-N Synonym: 2-amino-6-nitrobenzoic acid,benzoic acid, 2-amino-6-nitro,6-nitroanthranilic acid,2-amino-6-nitro-benzoic acid,2-amino-6-nitrobenzoicacid,6-nitroanthanilic acid,acmc-209knw,6-nitro-anthranilic acid,6-nitro-2-aminobenzoesaure,ksc911o8d PubChem CID: 95795 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)N
| PubChem CID | 95795 |
|---|---|
| CAS | 50573-74-5 |
| Molecular Weight (g/mol) | 182.135 |
| MDL Number | MFCD00034785 |
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)N |
| Synonym | 2-amino-6-nitrobenzoic acid,benzoic acid, 2-amino-6-nitro,6-nitroanthranilic acid,2-amino-6-nitro-benzoic acid,2-amino-6-nitrobenzoicacid,6-nitroanthanilic acid,acmc-209knw,6-nitro-anthranilic acid,6-nitro-2-aminobenzoesaure,ksc911o8d |
| InChI Key | GGKYLHNARFFORH-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2O4 |
3-Chloro-4-(trifluoromethyl)benzeneboronic acid, 97%
CAS: 847756-88-1 Molecular Formula: C7H5BClF3O2 Molecular Weight (g/mol): 224.37 MDL Number: MFCD03788417 InChI Key: OCHKTAGGJMWISO-UHFFFAOYSA-N Synonym: 3-chloro-4-trifluoromethyl phenylboronic acid,3-chloro-4-trifluoromethylphenylboronic acid,3-chloro-4-trifluoromethyl benzeneboronic acid,3-chloro-4-trifluoromethyl phenyl boronic acid,4-borono-2-chlorobenzotrifluoride,boronic acid, 3-chloro-4-trifluoromethyl phenyl,pubchem23707,acmc-209pwg PubChem CID: 3772958 IUPAC Name: [3-chloro-4-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)C(F)(F)F)Cl)(O)O
| PubChem CID | 3772958 |
|---|---|
| CAS | 847756-88-1 |
| Molecular Weight (g/mol) | 224.37 |
| MDL Number | MFCD03788417 |
| SMILES | B(C1=CC(=C(C=C1)C(F)(F)F)Cl)(O)O |
| Synonym | 3-chloro-4-trifluoromethyl phenylboronic acid,3-chloro-4-trifluoromethylphenylboronic acid,3-chloro-4-trifluoromethyl benzeneboronic acid,3-chloro-4-trifluoromethyl phenyl boronic acid,4-borono-2-chlorobenzotrifluoride,boronic acid, 3-chloro-4-trifluoromethyl phenyl,pubchem23707,acmc-209pwg |
| IUPAC Name | [3-chloro-4-(trifluoromethyl)phenyl]boronic acid |
| InChI Key | OCHKTAGGJMWISO-UHFFFAOYSA-N |
| Molecular Formula | C7H5BClF3O2 |
Phenoxybenzamine Hydrochloride, USP, 98-101%, Spectrum™ Chemical
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CAS: 63-92-3 Molecular Formula: C18H23Cl2NO Molecular Weight (g/mol): 340.29 InChI Key: VBCPVIWPDJVHAN-UHFFFAOYNA-N IUPAC Name: hydrogen benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine chloride SMILES: [H+].[Cl-].CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1
| CAS | 63-92-3 |
|---|---|
| Molecular Weight (g/mol) | 340.29 |
| SMILES | [H+].[Cl-].CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1 |
| IUPAC Name | hydrogen benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine chloride |
| InChI Key | VBCPVIWPDJVHAN-UHFFFAOYNA-N |
| Molecular Formula | C18H23Cl2NO |
3-Fluorophenylacetic acid, 98%
CAS: 331-25-9 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00004331 InChI Key: YEAUYVGUXSZCFI-UHFFFAOYSA-N Synonym: 3-fluorophenylacetic acid,2-3-fluorophenyl acetic acid,m-fluorophenylacetic acid,benzeneacetic acid, 3-fluoro,3-fluorophenyl acetic acid,3-fluorophenlacetic acid,acetic acid, m-fluorophenyl,m-fluorophenyl acetic acid,3-fluorophenylaceticacid PubChem CID: 67617 IUPAC Name: 2-(3-fluorophenyl)acetic acid SMILES: OC(=O)CC1=CC=CC(F)=C1
| PubChem CID | 67617 |
|---|---|
| CAS | 331-25-9 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00004331 |
| SMILES | OC(=O)CC1=CC=CC(F)=C1 |
| Synonym | 3-fluorophenylacetic acid,2-3-fluorophenyl acetic acid,m-fluorophenylacetic acid,benzeneacetic acid, 3-fluoro,3-fluorophenyl acetic acid,3-fluorophenlacetic acid,acetic acid, m-fluorophenyl,m-fluorophenyl acetic acid,3-fluorophenylaceticacid |
| IUPAC Name | 2-(3-fluorophenyl)acetic acid |
| InChI Key | YEAUYVGUXSZCFI-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
Methylparaben, FCC, 99-100.5%, Spectrum™ Chemical
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CAS: 61-68-7 Molecular Formula: C15H15NO2 Molecular Weight (g/mol): 241.29 InChI Key: HYYBABOKPJLUIN-UHFFFAOYSA-N IUPAC Name: 2-[(2,3-dimethylphenyl)amino]benzoic acid SMILES: CC1=CC=CC(NC2=CC=CC=C2C(O)=O)=C1C
| CAS | 61-68-7 |
|---|---|
| Molecular Weight (g/mol) | 241.29 |
| SMILES | CC1=CC=CC(NC2=CC=CC=C2C(O)=O)=C1C |
| IUPAC Name | 2-[(2,3-dimethylphenyl)amino]benzoic acid |
| InChI Key | HYYBABOKPJLUIN-UHFFFAOYSA-N |
| Molecular Formula | C15H15NO2 |