Benzene and substituted derivatives
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2-Bromobenzaldoxime 98.0+%, TCI America™
CAS: 34158-72-0 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.04 MDL Number: MFCD00082734 InChI Key: PSIRFUPZHPEKAE-UHFFFAOYSA-N Synonym: 2-bromobenzaldoxime,e-2-bromobenzaldehyde oxime,2-bromobenzaldehyde oxime,e-n-2-bromophenyl methylidene hydroxylamine,e-1-2-bromophenyl-n-hydroxymethanimine,z-n-2-bromophenyl methylidene hydroxylamine,2-bromobenzal-doxime,pubchem3731,2-bromophenyl hydroxyimino methane,ne-n-2-bromophenyl methylidene hydroxylamine PubChem CID: 6876022 IUPAC Name: N-[(2-bromophenyl)methylidene]hydroxylamine SMILES: ON=CC1=CC=CC=C1Br
| PubChem CID | 6876022 |
|---|---|
| CAS | 34158-72-0 |
| Molecular Weight (g/mol) | 200.04 |
| MDL Number | MFCD00082734 |
| SMILES | ON=CC1=CC=CC=C1Br |
| Synonym | 2-bromobenzaldoxime,e-2-bromobenzaldehyde oxime,2-bromobenzaldehyde oxime,e-n-2-bromophenyl methylidene hydroxylamine,e-1-2-bromophenyl-n-hydroxymethanimine,z-n-2-bromophenyl methylidene hydroxylamine,2-bromobenzal-doxime,pubchem3731,2-bromophenyl hydroxyimino methane,ne-n-2-bromophenyl methylidene hydroxylamine |
| IUPAC Name | N-[(2-bromophenyl)methylidene]hydroxylamine |
| InChI Key | PSIRFUPZHPEKAE-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
5-Amino-2-nitrobenzoic Acid (Purified) 99.0+%, TCI America™
CAS: 13280-60-9 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00035748 InChI Key: KZZWQCKYLNIOBT-UHFFFAOYSA-N Synonym: 5-amino-2-nitrobenzoic acid,2-nitro-5-aminobenzoic acid,benzoic acid, 5-amino-2-nitro,3-carboxy-4-nitroaniline,5-amino-2-nitro-benzoic acid,pubchem4983,acmc-1bxcb,intermediates-zcf02020,5-amino-2-nitrobenzoicacid,6-nitro-m-anthranilic acid PubChem CID: 83298 SMILES: C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-]
| PubChem CID | 83298 |
|---|---|
| CAS | 13280-60-9 |
| Molecular Weight (g/mol) | 182.135 |
| MDL Number | MFCD00035748 |
| SMILES | C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-] |
| Synonym | 5-amino-2-nitrobenzoic acid,2-nitro-5-aminobenzoic acid,benzoic acid, 5-amino-2-nitro,3-carboxy-4-nitroaniline,5-amino-2-nitro-benzoic acid,pubchem4983,acmc-1bxcb,intermediates-zcf02020,5-amino-2-nitrobenzoicacid,6-nitro-m-anthranilic acid |
| InChI Key | KZZWQCKYLNIOBT-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2O4 |
4-Methyl-3-nitrobenzenesulfonyl Chloride 98.0+%, TCI America™
CAS: 616-83-1 Molecular Formula: C7H6ClNO4S Molecular Weight (g/mol): 235.638 MDL Number: MFCD00129811 InChI Key: OQFYBGANSUNUAO-UHFFFAOYSA-N Synonym: 4-methyl-3-nitrobenzene-1-sulfonyl chloride,2-nitrotoluene-4-sulfonyl chloride,4-methyl-3-nitro-benzenesulfonyl chloride,4-methyl-3-nitrobenzenesulfonylchloride,chloro 4-methyl-3-nitrophenyl sulfone,4-methyl-3-nitrobenzolsulfonylchlorid,pubchem5674,acmc-1awd3,3-nitro-p-toluenesulfonyl chloride,3-nitro-4-methyl phenylsulfonyl chloride PubChem CID: 560638 IUPAC Name: 4-methyl-3-nitrobenzenesulfonyl chloride SMILES: CC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-]
| PubChem CID | 560638 |
|---|---|
| CAS | 616-83-1 |
| Molecular Weight (g/mol) | 235.638 |
| MDL Number | MFCD00129811 |
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-] |
| Synonym | 4-methyl-3-nitrobenzene-1-sulfonyl chloride,2-nitrotoluene-4-sulfonyl chloride,4-methyl-3-nitro-benzenesulfonyl chloride,4-methyl-3-nitrobenzenesulfonylchloride,chloro 4-methyl-3-nitrophenyl sulfone,4-methyl-3-nitrobenzolsulfonylchlorid,pubchem5674,acmc-1awd3,3-nitro-p-toluenesulfonyl chloride,3-nitro-4-methyl phenylsulfonyl chloride |
| IUPAC Name | 4-methyl-3-nitrobenzenesulfonyl chloride |
| InChI Key | OQFYBGANSUNUAO-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO4S |
4-Nitrobenzoic Acid 99.0+%, TCI America™
CAS: 62-23-7 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007352 InChI Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonym: 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova PubChem CID: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
| PubChem CID | 6108 |
|---|---|
| CAS | 62-23-7 |
| Molecular Weight (g/mol) | 167.12 |
| ChEBI | CHEBI:262350 |
| MDL Number | MFCD00007352 |
| SMILES | C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] |
| Synonym | 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova |
| InChI Key | OTLNPYWUJOZPPA-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |
4-Cyanobiphenyl 98.0+%, TCI America™
CAS: 2920-38-9 Molecular Formula: C13H9N Molecular Weight (g/mol): 179.22 MDL Number: MFCD00001821 InChI Key: BPMBNLJJRKCCRT-UHFFFAOYSA-N Synonym: 4-cyanobiphenyl,1,1'-biphenyl-4-carbonitrile,4-biphenylcarbonitrile,p-phenylbenzonitrile,p-cyanobiphenyl,biphenyl-4-carbonitrile,4-phenylbenzenecarbonitrile,4-biphenylcarboxylic acid nitrile,4-cyanodiphenyl PubChem CID: 18021 IUPAC Name: [1,1'-biphenyl]-4-carbonitrile SMILES: N#CC1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 18021 |
|---|---|
| CAS | 2920-38-9 |
| Molecular Weight (g/mol) | 179.22 |
| MDL Number | MFCD00001821 |
| SMILES | N#CC1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 4-cyanobiphenyl,1,1'-biphenyl-4-carbonitrile,4-biphenylcarbonitrile,p-phenylbenzonitrile,p-cyanobiphenyl,biphenyl-4-carbonitrile,4-phenylbenzenecarbonitrile,4-biphenylcarboxylic acid nitrile,4-cyanodiphenyl |
| IUPAC Name | [1,1'-biphenyl]-4-carbonitrile |
| InChI Key | BPMBNLJJRKCCRT-UHFFFAOYSA-N |
| Molecular Formula | C13H9N |
4-Methyl-3-(trifluoromethyl)benzoic Acid 98.0+%, TCI America™
CAS: 261952-01-6 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD01631592 InChI Key: CAPKAYDTKWGFQB-UHFFFAOYSA-N Synonym: 4-methyl-3-trifluoromethyl benzoic acid,3-trifluoromethyl-4-methyl benzoic acid,3-trifluoromethyl-p-toluic acid,mtf-boa-4me,4-methyl-3-trifluoromethyl benzoicacid,4-methyl-3-trifluoromethyl-benzoic acid,3-trifluoromethyl-4-methylbenzoic acid,benzoic acid, 4-methyl-3-trifluoromethyl,pubchem2701 PubChem CID: 2775592 IUPAC Name: 4-methyl-3-(trifluoromethyl)benzoic acid SMILES: CC1=CC=C(C=C1C(F)(F)F)C(O)=O
| PubChem CID | 2775592 |
|---|---|
| CAS | 261952-01-6 |
| Molecular Weight (g/mol) | 204.15 |
| MDL Number | MFCD01631592 |
| SMILES | CC1=CC=C(C=C1C(F)(F)F)C(O)=O |
| Synonym | 4-methyl-3-trifluoromethyl benzoic acid,3-trifluoromethyl-4-methyl benzoic acid,3-trifluoromethyl-p-toluic acid,mtf-boa-4me,4-methyl-3-trifluoromethyl benzoicacid,4-methyl-3-trifluoromethyl-benzoic acid,3-trifluoromethyl-4-methylbenzoic acid,benzoic acid, 4-methyl-3-trifluoromethyl,pubchem2701 |
| IUPAC Name | 4-methyl-3-(trifluoromethyl)benzoic acid |
| InChI Key | CAPKAYDTKWGFQB-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
4-(3-Hydroxyphenoxy)benzoic Acid 99.0+%, TCI America™
CAS: 56183-35-8 Molecular Formula: C13H10O4 Molecular Weight (g/mol): 230.219 MDL Number: MFCD00059644 InChI Key: DEDKCEDXZJIDKZ-UHFFFAOYSA-N PubChem CID: 615389 IUPAC Name: 4-(3-hydroxyphenoxy)benzoic acid SMILES: C1=CC(=CC(=C1)OC2=CC=C(C=C2)C(=O)O)O
| PubChem CID | 615389 |
|---|---|
| CAS | 56183-35-8 |
| Molecular Weight (g/mol) | 230.219 |
| MDL Number | MFCD00059644 |
| SMILES | C1=CC(=CC(=C1)OC2=CC=C(C=C2)C(=O)O)O |
| IUPAC Name | 4-(3-hydroxyphenoxy)benzoic acid |
| InChI Key | DEDKCEDXZJIDKZ-UHFFFAOYSA-N |
| Molecular Formula | C13H10O4 |
Benzoic Acid 99.0+%, TCI America™
CAS: 65-85-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00002398 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Synonym: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O
| PubChem CID | 243 |
|---|---|
| CAS | 65-85-0 |
| Molecular Weight (g/mol) | 122.123 |
| ChEBI | CHEBI:30746 |
| MDL Number | MFCD00002398 |
| SMILES | C1=CC=C(C=C1)C(=O)O |
| Synonym | benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv |
| IUPAC Name | benzoic acid |
| InChI Key | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
1,4-Bis(methoxymethyl)benzene 99.0+%, TCI America™
CAS: 6770-38-3 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00025903 InChI Key: DAJPMKAQEUGECW-UHFFFAOYSA-N Synonym: p-Xylene Glycol Dimethyl Ether PubChem CID: 81239 IUPAC Name: 1,4-bis(methoxymethyl)benzene SMILES: COCC1=CC=C(C=C1)COC
| PubChem CID | 81239 |
|---|---|
| CAS | 6770-38-3 |
| Molecular Weight (g/mol) | 166.22 |
| MDL Number | MFCD00025903 |
| SMILES | COCC1=CC=C(C=C1)COC |
| Synonym | p-Xylene Glycol Dimethyl Ether |
| IUPAC Name | 1,4-bis(methoxymethyl)benzene |
| InChI Key | DAJPMKAQEUGECW-UHFFFAOYSA-N |
| Molecular Formula | C10H14O2 |
1-Chloro-2-fluorobenzene 98.0+%, TCI America™
CAS: 348-51-6 Molecular Formula: C6H4ClF Molecular Weight (g/mol): 130.55 MDL Number: MFCD00000533 InChI Key: ZCJAYDKWZAWMPR-UHFFFAOYSA-N Synonym: 2-chlorofluorobenzene,o-chlorofluorobenzene,benzene, 1-chloro-2-fluoro,o-fluorochlorobenzene,1-fluoro-2-chlorobenzene,1-chloro-2-fluoro-benzene,benzene, chlorofluoro,2-chloro-1-fluorobenzene,chlorofluorobenzene,2-fluorochlorobenzene PubChem CID: 9583 IUPAC Name: 1-chloro-2-fluorobenzene SMILES: FC1=CC=CC=C1Cl
| PubChem CID | 9583 |
|---|---|
| CAS | 348-51-6 |
| Molecular Weight (g/mol) | 130.55 |
| MDL Number | MFCD00000533 |
| SMILES | FC1=CC=CC=C1Cl |
| Synonym | 2-chlorofluorobenzene,o-chlorofluorobenzene,benzene, 1-chloro-2-fluoro,o-fluorochlorobenzene,1-fluoro-2-chlorobenzene,1-chloro-2-fluoro-benzene,benzene, chlorofluoro,2-chloro-1-fluorobenzene,chlorofluorobenzene,2-fluorochlorobenzene |
| IUPAC Name | 1-chloro-2-fluorobenzene |
| InChI Key | ZCJAYDKWZAWMPR-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClF |
2-(Methoxycarbonyl)-6-nitrobenzoic Acid 98.0+%, TCI America™
CAS: 21606-04-2 Molecular Formula: C9H7NO6 Molecular Weight (g/mol): 225.156 MDL Number: MFCD00034781 InChI Key: DJMQLZPEBHSABD-UHFFFAOYSA-N PubChem CID: 4399477 SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O
| PubChem CID | 4399477 |
|---|---|
| CAS | 21606-04-2 |
| Molecular Weight (g/mol) | 225.156 |
| MDL Number | MFCD00034781 |
| SMILES | COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O |
| InChI Key | DJMQLZPEBHSABD-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO6 |
3-Bromo-4-fluorobenzyl Alcohol 98.0+%, TCI America™
CAS: 77771-03-0 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.026 MDL Number: MFCD00143093 InChI Key: HNVVROFWONXXGO-UHFFFAOYSA-N Synonym: 3-bromo-4-fluorobenzyl alcohol,3-bromo-4-fluorophenyl methanol,3-bromo-4-fluorobenzylalcohol,3-bromo-4-fluoro-phenyl-methanol,3-bromo-4-fluorophenyl methan-1-ol,pubchem4884,4-fluoro-3-bromobenzyl alcohol,3-bromo-4-fluoro-benzyl alcohol,4-fluoro-3-bromo-benzyl alcohol,3-bromo-4-fluoro benzyl alcohol PubChem CID: 2773351 IUPAC Name: (3-bromo-4-fluorophenyl)methanol SMILES: C1=CC(=C(C=C1CO)Br)F
| PubChem CID | 2773351 |
|---|---|
| CAS | 77771-03-0 |
| Molecular Weight (g/mol) | 205.026 |
| MDL Number | MFCD00143093 |
| SMILES | C1=CC(=C(C=C1CO)Br)F |
| Synonym | 3-bromo-4-fluorobenzyl alcohol,3-bromo-4-fluorophenyl methanol,3-bromo-4-fluorobenzylalcohol,3-bromo-4-fluoro-phenyl-methanol,3-bromo-4-fluorophenyl methan-1-ol,pubchem4884,4-fluoro-3-bromobenzyl alcohol,3-bromo-4-fluoro-benzyl alcohol,4-fluoro-3-bromo-benzyl alcohol,3-bromo-4-fluoro benzyl alcohol |
| IUPAC Name | (3-bromo-4-fluorophenyl)methanol |
| InChI Key | HNVVROFWONXXGO-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrFO |
4-(Chloromethyl)benzoic Acid 98.0+%, TCI America™
CAS: 1642-81-5 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00002568 InChI Key: OITNBJHJJGMFBN-UHFFFAOYSA-N Synonym: 4-chloromethyl benzoic acid,alpha-chloro-p-toluic acid,benzoic acid, 4-chloromethyl,4-carboxybenzyl chloride,4-chloromethyl-benzoic acid,alpha-chloro-p-toluylic acid,.alpha.-chloro-p-toluylic acid,pubchem15446,alpha-chloroparatoluic acid PubChem CID: 74234 IUPAC Name: 4-(chloromethyl)benzoic acid SMILES: C1=CC(=CC=C1CCl)C(=O)O
| PubChem CID | 74234 |
|---|---|
| CAS | 1642-81-5 |
| Molecular Weight (g/mol) | 170.592 |
| MDL Number | MFCD00002568 |
| SMILES | C1=CC(=CC=C1CCl)C(=O)O |
| Synonym | 4-chloromethyl benzoic acid,alpha-chloro-p-toluic acid,benzoic acid, 4-chloromethyl,4-carboxybenzyl chloride,4-chloromethyl-benzoic acid,alpha-chloro-p-toluylic acid,.alpha.-chloro-p-toluylic acid,pubchem15446,alpha-chloroparatoluic acid |
| IUPAC Name | 4-(chloromethyl)benzoic acid |
| InChI Key | OITNBJHJJGMFBN-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |
4-Chlorostyrene (stabilized with TBC) 98.0+%, TCI America™
CAS: 1073-67-2 Molecular Formula: C8H7Cl Molecular Weight (g/mol): 138.59 MDL Number: MFCD00000632 InChI Key: KTZVZZJJVJQZHV-UHFFFAOYSA-N Synonym: 4-chlorostyrene,p-chlorostyrene,1-chloro-4-vinylbenzene,parachlorostyrene,benzene, 1-chloro-4-ethenyl,styrene, p-chloro,styrene, 4-chloro,unii-t0j05u220f,para-chlorostyrene PubChem CID: 14085 IUPAC Name: 1-chloro-4-ethenylbenzene SMILES: ClC1=CC=C(C=C)C=C1
| PubChem CID | 14085 |
|---|---|
| CAS | 1073-67-2 |
| Molecular Weight (g/mol) | 138.59 |
| MDL Number | MFCD00000632 |
| SMILES | ClC1=CC=C(C=C)C=C1 |
| Synonym | 4-chlorostyrene,p-chlorostyrene,1-chloro-4-vinylbenzene,parachlorostyrene,benzene, 1-chloro-4-ethenyl,styrene, p-chloro,styrene, 4-chloro,unii-t0j05u220f,para-chlorostyrene |
| IUPAC Name | 1-chloro-4-ethenylbenzene |
| InChI Key | KTZVZZJJVJQZHV-UHFFFAOYSA-N |
| Molecular Formula | C8H7Cl |
N-Methyl-4-(trifluoromethyl)aniline 98.0+%, TCI America™
CAS: 22864-65-9 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.154 MDL Number: MFCD07369717 InChI Key: UTUYWZJPVLDHJJ-UHFFFAOYSA-N PubChem CID: 15099755 IUPAC Name: N-methyl-4-(trifluoromethyl)aniline SMILES: CNC1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 15099755 |
|---|---|
| CAS | 22864-65-9 |
| Molecular Weight (g/mol) | 175.154 |
| MDL Number | MFCD07369717 |
| SMILES | CNC1=CC=C(C=C1)C(F)(F)F |
| IUPAC Name | N-methyl-4-(trifluoromethyl)aniline |
| InChI Key | UTUYWZJPVLDHJJ-UHFFFAOYSA-N |
| Molecular Formula | C8H8F3N |