Benzene and substituted derivatives
Filtered Search Results
4-Bromobenzoic Acid 98.0+%, TCI America™
CAS: 586-76-5 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD00002529 InChI Key: TUXYZHVUPGXXQG-UHFFFAOYSA-N Synonym: p-bromobenzoic acid,benzoic acid, 4-bromo,p-carboxybromobenzene,benzoic acid, p-bromo,p-bromobenzenecarboxylic acid,4-bromo-benzoic acid,4-brom-benzoesaeure,4-carboxybromobenzene,para bromo benzoic acid,4bromo-benzoic acid PubChem CID: 11464 ChEBI: CHEBI:60698 IUPAC Name: 4-bromobenzoic acid SMILES: OC(=O)C1=CC=C(Br)C=C1
| PubChem CID | 11464 |
|---|---|
| CAS | 586-76-5 |
| Molecular Weight (g/mol) | 201.02 |
| ChEBI | CHEBI:60698 |
| MDL Number | MFCD00002529 |
| SMILES | OC(=O)C1=CC=C(Br)C=C1 |
| Synonym | p-bromobenzoic acid,benzoic acid, 4-bromo,p-carboxybromobenzene,benzoic acid, p-bromo,p-bromobenzenecarboxylic acid,4-bromo-benzoic acid,4-brom-benzoesaeure,4-carboxybromobenzene,para bromo benzoic acid,4bromo-benzoic acid |
| IUPAC Name | 4-bromobenzoic acid |
| InChI Key | TUXYZHVUPGXXQG-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO2 |
1,4-Dibromo-2,5-dimethoxybenzene 98.0+%, TCI America™
CAS: 2674-34-2 Molecular Formula: C8H8Br2O2 Molecular Weight (g/mol): 295.958 MDL Number: MFCD00025694 InChI Key: CHCLRVOURKGRSW-UHFFFAOYSA-N Synonym: 2,5-dibromo-1,4-dimethoxybenzene,1,4-dibromo-2,5-dimethoxy-benzene,2,5-dibromohydroquinone dimethyl ether,benzene, 1,4-dibromo-2,5-dimethoxy,pubchem16840,acmc-209gsv,maybridge1_005131,ksc496i0h,2,5-dibromo-4-methoxyanisole,1,4-dibromo-3,6-dimethoxybenzene PubChem CID: 231240 IUPAC Name: 1,4-dibromo-2,5-dimethoxybenzene SMILES: COC1=CC(=C(C=C1Br)OC)Br
| PubChem CID | 231240 |
|---|---|
| CAS | 2674-34-2 |
| Molecular Weight (g/mol) | 295.958 |
| MDL Number | MFCD00025694 |
| SMILES | COC1=CC(=C(C=C1Br)OC)Br |
| Synonym | 2,5-dibromo-1,4-dimethoxybenzene,1,4-dibromo-2,5-dimethoxy-benzene,2,5-dibromohydroquinone dimethyl ether,benzene, 1,4-dibromo-2,5-dimethoxy,pubchem16840,acmc-209gsv,maybridge1_005131,ksc496i0h,2,5-dibromo-4-methoxyanisole,1,4-dibromo-3,6-dimethoxybenzene |
| IUPAC Name | 1,4-dibromo-2,5-dimethoxybenzene |
| InChI Key | CHCLRVOURKGRSW-UHFFFAOYSA-N |
| Molecular Formula | C8H8Br2O2 |
Methyl 2-Iodobenzoate 98.0+%, TCI America™
CAS: 610-97-9 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.046 MDL Number: MFCD00016351 InChI Key: BXXLTVBTDZXPTN-UHFFFAOYSA-N Synonym: 2-iodobenzoic acid methyl ester,methyl o-iodobenzoate,methyl-2-iodobenzoate,benzoic acid, 2-iodo-, methyl ester,2-iodo-benzoic acid methyl ester,methyl2-iodobenzoate,benzoic acid, o-iodo-, methyl ester,methyl 2-iodo-benzoate,pubchem10568,acmc-209mp0 PubChem CID: 69132 IUPAC Name: methyl 2-iodobenzoate SMILES: COC(=O)C1=CC=CC=C1I
| PubChem CID | 69132 |
|---|---|
| CAS | 610-97-9 |
| Molecular Weight (g/mol) | 262.046 |
| MDL Number | MFCD00016351 |
| SMILES | COC(=O)C1=CC=CC=C1I |
| Synonym | 2-iodobenzoic acid methyl ester,methyl o-iodobenzoate,methyl-2-iodobenzoate,benzoic acid, 2-iodo-, methyl ester,2-iodo-benzoic acid methyl ester,methyl2-iodobenzoate,benzoic acid, o-iodo-, methyl ester,methyl 2-iodo-benzoate,pubchem10568,acmc-209mp0 |
| IUPAC Name | methyl 2-iodobenzoate |
| InChI Key | BXXLTVBTDZXPTN-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO2 |
Phenyl Chloroformate 98.0+%, TCI America™
CAS: 1885-14-9 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 MDL Number: MFCD00000637 InChI Key: AHWALFGBDFAJAI-UHFFFAOYSA-N Synonym: phenyl chloroformate,chloroformic acid phenyl ester,phenyl chlorocarbonate,carbonochloridic acid, phenyl ester,phenoxycarbonyl chloride,formic acid, chloro-, phenyl ester,fenylester kyseliny chlormravenci,phenylchloroformate,unii-6tnd0d6d3y,6tnd0d6d3y PubChem CID: 15891 IUPAC Name: phenyl carbonochloridate SMILES: ClC(=O)OC1=CC=CC=C1
| PubChem CID | 15891 |
|---|---|
| CAS | 1885-14-9 |
| Molecular Weight (g/mol) | 156.57 |
| MDL Number | MFCD00000637 |
| SMILES | ClC(=O)OC1=CC=CC=C1 |
| Synonym | phenyl chloroformate,chloroformic acid phenyl ester,phenyl chlorocarbonate,carbonochloridic acid, phenyl ester,phenoxycarbonyl chloride,formic acid, chloro-, phenyl ester,fenylester kyseliny chlormravenci,phenylchloroformate,unii-6tnd0d6d3y,6tnd0d6d3y |
| IUPAC Name | phenyl carbonochloridate |
| InChI Key | AHWALFGBDFAJAI-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
3,5-Dinitrobenzoic Acid 98.0+%, TCI America™
CAS: 99-34-3 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007253 InChI Key: VYWYYJYRVSBHJQ-UHFFFAOYSA-N Synonym: 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid PubChem CID: 7433 ChEBI: CHEBI:73914 IUPAC Name: 3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
| PubChem CID | 7433 |
|---|---|
| CAS | 99-34-3 |
| Molecular Weight (g/mol) | 212.12 |
| ChEBI | CHEBI:73914 |
| MDL Number | MFCD00007253 |
| SMILES | OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O |
| Synonym | 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid |
| IUPAC Name | 3,5-dinitrobenzoic acid |
| InChI Key | VYWYYJYRVSBHJQ-UHFFFAOYSA-N |
| Molecular Formula | C7H4N2O6 |
1,4-Benzenedimethanol 99.0+%, TCI America™
CAS: 589-29-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00004665 InChI Key: BWVAOONFBYYRHY-UHFFFAOYSA-N Synonym: 1,4-benzenedimethanol,p-xylylene glycol,p-xylene glycol,terephthalyl alcohol,4-hydroxymethyl phenyl methanol,1,4-xylylene glycol,1,4-phenylenedimethanol,p-benzenedimethanol,p-xylylenediol,1,4-dimethylolbenzene PubChem CID: 11506 IUPAC Name: [4-(hydroxymethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CO)CO
| PubChem CID | 11506 |
|---|---|
| CAS | 589-29-7 |
| Molecular Weight (g/mol) | 138.166 |
| MDL Number | MFCD00004665 |
| SMILES | C1=CC(=CC=C1CO)CO |
| Synonym | 1,4-benzenedimethanol,p-xylylene glycol,p-xylene glycol,terephthalyl alcohol,4-hydroxymethyl phenyl methanol,1,4-xylylene glycol,1,4-phenylenedimethanol,p-benzenedimethanol,p-xylylenediol,1,4-dimethylolbenzene |
| IUPAC Name | [4-(hydroxymethyl)phenyl]methanol |
| InChI Key | BWVAOONFBYYRHY-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
4-Methylbenzyl Alcohol 99.0+%, TCI America™
CAS: 589-18-4 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00004664 InChI Key: KMTDMTZBNYGUNX-UHFFFAOYSA-N Synonym: 4-methylbenzyl alcohol,p-tolylmethanol,p-tolylcarbinol,4-methylphenyl methanol,4-tolylcarbinol,p-methylbenzyl alcohol,benzenemethanol, 4-methyl,4-hydroxymethyl toluene,benzyl alcohol, p-methyl,4-methylbenzenemethanol PubChem CID: 11505 ChEBI: CHEBI:1895 IUPAC Name: (4-methylphenyl)methanol SMILES: CC1=CC=C(C=C1)CO
| PubChem CID | 11505 |
|---|---|
| CAS | 589-18-4 |
| Molecular Weight (g/mol) | 122.167 |
| ChEBI | CHEBI:1895 |
| MDL Number | MFCD00004664 |
| SMILES | CC1=CC=C(C=C1)CO |
| Synonym | 4-methylbenzyl alcohol,p-tolylmethanol,p-tolylcarbinol,4-methylphenyl methanol,4-tolylcarbinol,p-methylbenzyl alcohol,benzenemethanol, 4-methyl,4-hydroxymethyl toluene,benzyl alcohol, p-methyl,4-methylbenzenemethanol |
| IUPAC Name | (4-methylphenyl)methanol |
| InChI Key | KMTDMTZBNYGUNX-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
4-tert-Butylphenol 98.0+%, TCI America™
CAS: 98-54-4 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00002367 InChI Key: QHPQWRBYOIRBIT-UHFFFAOYSA-N Synonym: 4-tert-butyl phenol,butylphen,p-tert-butylphenol,ptbp,4-1,1-dimethylethyl phenol,4-t-butylphenol,p-t-butyl phenol,phenol, 4-1,1-dimethylethyl,p-t-butylphenol,p-terc.butylfenol PubChem CID: 7393 ChEBI: CHEBI:34444 IUPAC Name: 4-tert-butylphenol SMILES: CC(C)(C)C1=CC=C(C=C1)O
| PubChem CID | 7393 |
|---|---|
| CAS | 98-54-4 |
| Molecular Weight (g/mol) | 150.221 |
| ChEBI | CHEBI:34444 |
| MDL Number | MFCD00002367 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)O |
| Synonym | 4-tert-butyl phenol,butylphen,p-tert-butylphenol,ptbp,4-1,1-dimethylethyl phenol,4-t-butylphenol,p-t-butyl phenol,phenol, 4-1,1-dimethylethyl,p-t-butylphenol,p-terc.butylfenol |
| IUPAC Name | 4-tert-butylphenol |
| InChI Key | QHPQWRBYOIRBIT-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
Diethyl Phthalate 99.0+%, TCI America™
CAS: 84-66-2 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00009111 InChI Key: FLKPEMZONWLCSK-UHFFFAOYSA-N Synonym: diethyl phthalate,phthalic acid diethyl ester,ethyl phthalate,anozol,neantine,phthalol,solvanol,diethyl o-phthalate,palatinol a,placidol e PubChem CID: 6781 ChEBI: CHEBI:34698 IUPAC Name: diethyl benzene-1,2-dicarboxylate SMILES: CCOC(=O)C1=CC=CC=C1C(=O)OCC
| PubChem CID | 6781 |
|---|---|
| CAS | 84-66-2 |
| Molecular Weight (g/mol) | 222.24 |
| ChEBI | CHEBI:34698 |
| MDL Number | MFCD00009111 |
| SMILES | CCOC(=O)C1=CC=CC=C1C(=O)OCC |
| Synonym | diethyl phthalate,phthalic acid diethyl ester,ethyl phthalate,anozol,neantine,phthalol,solvanol,diethyl o-phthalate,palatinol a,placidol e |
| IUPAC Name | diethyl benzene-1,2-dicarboxylate |
| InChI Key | FLKPEMZONWLCSK-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
4-Allyl-1,2-dimethoxybenzene 98.0+%, TCI America™
CAS: 93-15-2 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00008652 InChI Key: ZYEMGPIYFIJGTP-UHFFFAOYSA-N Synonym: methyleugenol,methyl eugenol,4-allyl-1,2-dimethoxybenzene,eugenol methyl ether,4-allylveratrole,o-methyleugenol,eugenyl methyl ether,3,4-dimethoxyallylbenzene,methyl eugenol ether,veratrole methyl ether PubChem CID: 7127 ChEBI: CHEBI:4918 IUPAC Name: 1,2-dimethoxy-4-prop-2-enylbenzene SMILES: COC1=C(C=C(C=C1)CC=C)OC
| PubChem CID | 7127 |
|---|---|
| CAS | 93-15-2 |
| Molecular Weight (g/mol) | 178.231 |
| ChEBI | CHEBI:4918 |
| MDL Number | MFCD00008652 |
| SMILES | COC1=C(C=C(C=C1)CC=C)OC |
| Synonym | methyleugenol,methyl eugenol,4-allyl-1,2-dimethoxybenzene,eugenol methyl ether,4-allylveratrole,o-methyleugenol,eugenyl methyl ether,3,4-dimethoxyallylbenzene,methyl eugenol ether,veratrole methyl ether |
| IUPAC Name | 1,2-dimethoxy-4-prop-2-enylbenzene |
| InChI Key | ZYEMGPIYFIJGTP-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
Methyl 2-Benzoylbenzoate 98.0+%, TCI America™
CAS: 606-28-0 Molecular Formula: C15H12O3 Molecular Weight (g/mol): 240.258 MDL Number: MFCD00017187 InChI Key: NQSMEZJWJJVYOI-UHFFFAOYSA-N Synonym: Benzophenone-2-carboxylic Acid Methyl Ester, Methyl Benzophenone-2-carboxylate, 2-Benzoylbenzoic Acid Methyl Ester PubChem CID: 11816 IUPAC Name: methyl 2-benzoylbenzoate SMILES: COC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2
| PubChem CID | 11816 |
|---|---|
| CAS | 606-28-0 |
| Molecular Weight (g/mol) | 240.258 |
| MDL Number | MFCD00017187 |
| SMILES | COC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2 |
| Synonym | Benzophenone-2-carboxylic Acid Methyl Ester, Methyl Benzophenone-2-carboxylate, 2-Benzoylbenzoic Acid Methyl Ester |
| IUPAC Name | methyl 2-benzoylbenzoate |
| InChI Key | NQSMEZJWJJVYOI-UHFFFAOYSA-N |
| Molecular Formula | C15H12O3 |
4-(Aminomethyl)phenol 98.0+%, TCI America™
CAS: 696-60-6 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD19690971 InChI Key: RQJDUEKERVZLLU-UHFFFAOYSA-N Synonym: 4-hydroxybenzylamine,4-aminomethyl phenol,4-aminomethyl-phenol,para-hydroxybenzylamine,unii-7j7f85b7bi,4-hydroxyphenyl methanaminium bromide,a-amino-p-cresol,4-hyroxybenzylamine,p-hydroxybenzylamine,4-hydroxylbenzylamine PubChem CID: 97472 IUPAC Name: 4-(aminomethyl)phenol SMILES: NCC1=CC=C(O)C=C1
| PubChem CID | 97472 |
|---|---|
| CAS | 696-60-6 |
| Molecular Weight (g/mol) | 123.16 |
| MDL Number | MFCD19690971 |
| SMILES | NCC1=CC=C(O)C=C1 |
| Synonym | 4-hydroxybenzylamine,4-aminomethyl phenol,4-aminomethyl-phenol,para-hydroxybenzylamine,unii-7j7f85b7bi,4-hydroxyphenyl methanaminium bromide,a-amino-p-cresol,4-hyroxybenzylamine,p-hydroxybenzylamine,4-hydroxylbenzylamine |
| IUPAC Name | 4-(aminomethyl)phenol |
| InChI Key | RQJDUEKERVZLLU-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
p-Xylylenediamine 99.0+%, TCI America™
CAS: 539-48-0 Molecular Formula: C8H12N2 Molecular Weight (g/mol): 136.198 MDL Number: MFCD00009821 InChI Key: ISKQADXMHQSTHK-UHFFFAOYSA-N Synonym: p-xylylenediamine,1,4-phenylenedimethanamine,1,4-bis aminomethyl benzene,1,4-benzenedimethanamine,1,4-xylylenediamine,p-xylylendiamine,4-aminomethylbenzylamine,p-xylylendiamine czech,p-phenylenebis methylamine,4-aminomethyl phenyl methanamine PubChem CID: 68315 IUPAC Name: [4-(aminomethyl)phenyl]methanamine SMILES: C1=CC(=CC=C1CN)CN
| PubChem CID | 68315 |
|---|---|
| CAS | 539-48-0 |
| Molecular Weight (g/mol) | 136.198 |
| MDL Number | MFCD00009821 |
| SMILES | C1=CC(=CC=C1CN)CN |
| Synonym | p-xylylenediamine,1,4-phenylenedimethanamine,1,4-bis aminomethyl benzene,1,4-benzenedimethanamine,1,4-xylylenediamine,p-xylylendiamine,4-aminomethylbenzylamine,p-xylylendiamine czech,p-phenylenebis methylamine,4-aminomethyl phenyl methanamine |
| IUPAC Name | [4-(aminomethyl)phenyl]methanamine |
| InChI Key | ISKQADXMHQSTHK-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2 |
trans-Anethole 98.0+%, TCI America™
CAS: 4180-23-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Synonym: anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole PubChem CID: 637563 ChEBI: CHEBI:35616 IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=C(C=C1)OC
| PubChem CID | 637563 |
|---|---|
| CAS | 4180-23-8 |
| Molecular Weight (g/mol) | 148.205 |
| ChEBI | CHEBI:35616 |
| MDL Number | MFCD00009284 |
| SMILES | CC=CC1=CC=C(C=C1)OC |
| Synonym | anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole |
| IUPAC Name | 1-methoxy-4-[(E)-prop-1-enyl]benzene |
| InChI Key | RUVINXPYWBROJD-ONEGZZNKSA-N |
| Molecular Formula | C10H12O |
4-(Hydroxymethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 59016-93-2 Molecular Formula: C7H9BO3 Molecular Weight (g/mol): 151.956 MDL Number: MFCD00792672 InChI Key: PZRPBPMLSSNFOM-UHFFFAOYSA-N Synonym: 4-hydroxymethyl phenylboronic acid,4-hydroxymethyl benzeneboronic acid,4-hydroxymethyl phenyl boronic acid,4-hydroxymethylphenyl boronic acid,4-hydroxymethylphenylboronic acid,4-boronobenzyl alcohol,p-hydroxymethyl phenylboronic acid,4-hydroxymethyl phenyl boranediol PubChem CID: 2734706 IUPAC Name: [4-(hydroxymethyl)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)CO)(O)O
| PubChem CID | 2734706 |
|---|---|
| CAS | 59016-93-2 |
| Molecular Weight (g/mol) | 151.956 |
| MDL Number | MFCD00792672 |
| SMILES | B(C1=CC=C(C=C1)CO)(O)O |
| Synonym | 4-hydroxymethyl phenylboronic acid,4-hydroxymethyl benzeneboronic acid,4-hydroxymethyl phenyl boronic acid,4-hydroxymethylphenyl boronic acid,4-hydroxymethylphenylboronic acid,4-boronobenzyl alcohol,p-hydroxymethyl phenylboronic acid,4-hydroxymethyl phenyl boranediol |
| IUPAC Name | [4-(hydroxymethyl)phenyl]boronic acid |
| InChI Key | PZRPBPMLSSNFOM-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO3 |