Benzene and substituted derivatives
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2,3,5-Trichlorobenzaldehyde 95.0+%, TCI America™
CAS: 56961-75-2 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00010860 InChI Key: DJYRZTCLVDKWBL-UHFFFAOYSA-N Synonym: benzaldehyde, 2,3,5-trichloro,ksc606a4b,acmc-1b126,benzaldehyde,2,3,5-trichloro,djyrztclvdkwbl-uhfffaoysa,2,3,5-trichlorobenzaldehyde PubChem CID: 92596 IUPAC Name: 2,3,5-trichlorobenzaldehyde SMILES: ClC1=CC(Cl)=C(Cl)C(C=O)=C1
| PubChem CID | 92596 |
|---|---|
| CAS | 56961-75-2 |
| Molecular Weight (g/mol) | 209.45 |
| MDL Number | MFCD00010860 |
| SMILES | ClC1=CC(Cl)=C(Cl)C(C=O)=C1 |
| Synonym | benzaldehyde, 2,3,5-trichloro,ksc606a4b,acmc-1b126,benzaldehyde,2,3,5-trichloro,djyrztclvdkwbl-uhfffaoysa,2,3,5-trichlorobenzaldehyde |
| IUPAC Name | 2,3,5-trichlorobenzaldehyde |
| InChI Key | DJYRZTCLVDKWBL-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O |
3-Bromotoluene 98.0+%, TCI America™
CAS: 591-17-3 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.04 MDL Number: MFCD00000085 InChI Key: WJIFKOVZNJTSGO-UHFFFAOYSA-N Synonym: 3-bromotoluene,m-bromotoluene,3-methylbromobenzene,benzene, 1-bromo-3-methyl,m-tolyl bromide,toluene, m-bromo,5-bromotoluene,3-bromo-1-methylbenzene,m-methylbromobenzene,3-methyl-1-bromobenzene PubChem CID: 11560 IUPAC Name: 1-bromo-3-methylbenzene SMILES: CC1=CC=CC(Br)=C1
| PubChem CID | 11560 |
|---|---|
| CAS | 591-17-3 |
| Molecular Weight (g/mol) | 171.04 |
| MDL Number | MFCD00000085 |
| SMILES | CC1=CC=CC(Br)=C1 |
| Synonym | 3-bromotoluene,m-bromotoluene,3-methylbromobenzene,benzene, 1-bromo-3-methyl,m-tolyl bromide,toluene, m-bromo,5-bromotoluene,3-bromo-1-methylbenzene,m-methylbromobenzene,3-methyl-1-bromobenzene |
| IUPAC Name | 1-bromo-3-methylbenzene |
| InChI Key | WJIFKOVZNJTSGO-UHFFFAOYSA-N |
| Molecular Formula | C7H7Br |
2,4,6-Trimethylbenzaldehyde 95.0+%, TCI America™
CAS: 487-68-3 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00003341 InChI Key: HIKRJHFHGKZKRI-UHFFFAOYSA-N Synonym: mesitaldehyde,mesitylaldehyde,benzaldehyde, 2,4,6-trimethyl,2-mesitylenecarboxaldehyde,mesitylenecarboxaldehyde,2-formylmesitylene,2,4,6-trimethyl-benzaldehyde,isodural,mesityl aldehyde,b-isodural PubChem CID: 10254 IUPAC Name: 2,4,6-trimethylbenzaldehyde SMILES: CC1=CC(C)=C(C=O)C(C)=C1
| PubChem CID | 10254 |
|---|---|
| CAS | 487-68-3 |
| Molecular Weight (g/mol) | 148.21 |
| MDL Number | MFCD00003341 |
| SMILES | CC1=CC(C)=C(C=O)C(C)=C1 |
| Synonym | mesitaldehyde,mesitylaldehyde,benzaldehyde, 2,4,6-trimethyl,2-mesitylenecarboxaldehyde,mesitylenecarboxaldehyde,2-formylmesitylene,2,4,6-trimethyl-benzaldehyde,isodural,mesityl aldehyde,b-isodural |
| IUPAC Name | 2,4,6-trimethylbenzaldehyde |
| InChI Key | HIKRJHFHGKZKRI-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
3-Bromobenzaldehyde 98.0+%, TCI America™
CAS: 3132-99-8 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 MDL Number: MFCD00003345 InChI Key: SUISZCALMBHJQX-UHFFFAOYSA-N Synonym: m-bromobenzaldehyde,benzaldehyde, 3-bromo,benzaldehyde, m-bromo,3-bromobenzeldehyde,unii-w0ard2zj82,3-bromo benzaldehyde,3-bromo-benzaldehyde,w0ard2zj82,benzaldehyde, m-bromo-6ci,7ci,8ci,3-bromobenzaidehyde PubChem CID: 76583 IUPAC Name: 3-bromobenzaldehyde SMILES: C1=CC(=CC(=C1)Br)C=O
| PubChem CID | 76583 |
|---|---|
| CAS | 3132-99-8 |
| Molecular Weight (g/mol) | 185.02 |
| MDL Number | MFCD00003345 |
| SMILES | C1=CC(=CC(=C1)Br)C=O |
| Synonym | m-bromobenzaldehyde,benzaldehyde, 3-bromo,benzaldehyde, m-bromo,3-bromobenzeldehyde,unii-w0ard2zj82,3-bromo benzaldehyde,3-bromo-benzaldehyde,w0ard2zj82,benzaldehyde, m-bromo-6ci,7ci,8ci,3-bromobenzaidehyde |
| IUPAC Name | 3-bromobenzaldehyde |
| InChI Key | SUISZCALMBHJQX-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO |
2,3,4-Trihydroxydiphenylmethane 98.0+%, TCI America™
CAS: 17345-66-3 Molecular Formula: C13H12O3 Molecular Weight (g/mol): 216.24 MDL Number: MFCD08276435 InChI Key: UJWRVYWLRMVCIR-UHFFFAOYSA-N Synonym: 4-Benzylpyrogallol PubChem CID: 14121594 IUPAC Name: 4-benzylbenzene-1,2,3-triol SMILES: OC1=C(O)C(O)=C(CC2=CC=CC=C2)C=C1
| PubChem CID | 14121594 |
|---|---|
| CAS | 17345-66-3 |
| Molecular Weight (g/mol) | 216.24 |
| MDL Number | MFCD08276435 |
| SMILES | OC1=C(O)C(O)=C(CC2=CC=CC=C2)C=C1 |
| Synonym | 4-Benzylpyrogallol |
| IUPAC Name | 4-benzylbenzene-1,2,3-triol |
| InChI Key | UJWRVYWLRMVCIR-UHFFFAOYSA-N |
| Molecular Formula | C13H12O3 |
4-(Trifluoromethyl)salicylic Acid 98.0+%, TCI America™
CAS: 328-90-5 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD01529657 InChI Key: XMLFPUBZFSJWCN-UHFFFAOYSA-N Synonym: 2-Hydroxy-4-(trifluoromethyl)benzoic Acid PubChem CID: 164578 IUPAC Name: 2-hydroxy-4-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC=C(C=C1O)C(F)(F)F
| PubChem CID | 164578 |
|---|---|
| CAS | 328-90-5 |
| Molecular Weight (g/mol) | 206.12 |
| MDL Number | MFCD01529657 |
| SMILES | OC(=O)C1=CC=C(C=C1O)C(F)(F)F |
| Synonym | 2-Hydroxy-4-(trifluoromethyl)benzoic Acid |
| IUPAC Name | 2-hydroxy-4-(trifluoromethyl)benzoic acid |
| InChI Key | XMLFPUBZFSJWCN-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O3 |
Methyl 4-Chloro-3-nitrobenzoate 98.0+%, TCI America™
CAS: 14719-83-6 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00016989 InChI Key: XRTKWPWDSUNLHS-UHFFFAOYSA-N Synonym: methyl 4-chloro-3-nitrobenzate,4-chloro-3-nitrobenzoic acid methyl ester,methyl-4-chloro-3-nitrobenzoate,benzoic acid, 4-chloro-3-nitro-, methyl ester,acmc-209cya,methyl-3-nitro-4-chlorobenzoate,methyl 3-nitro-4-chlorobenzoate,xrtkwpwdsunlhs-uhfffaoysa,methyl 4-chloro-3-nitro-benzoate,methyl4-chloro-3-nitrobenzoate PubChem CID: 735797 IUPAC Name: methyl 4-chloro-3-nitrobenzoate SMILES: COC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O
| PubChem CID | 735797 |
|---|---|
| CAS | 14719-83-6 |
| Molecular Weight (g/mol) | 215.59 |
| MDL Number | MFCD00016989 |
| SMILES | COC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O |
| Synonym | methyl 4-chloro-3-nitrobenzate,4-chloro-3-nitrobenzoic acid methyl ester,methyl-4-chloro-3-nitrobenzoate,benzoic acid, 4-chloro-3-nitro-, methyl ester,acmc-209cya,methyl-3-nitro-4-chlorobenzoate,methyl 3-nitro-4-chlorobenzoate,xrtkwpwdsunlhs-uhfffaoysa,methyl 4-chloro-3-nitro-benzoate,methyl4-chloro-3-nitrobenzoate |
| IUPAC Name | methyl 4-chloro-3-nitrobenzoate |
| InChI Key | XRTKWPWDSUNLHS-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO4 |
Methyltriphenylphosphonium Chloride 98.0+%, TCI America™
CAS: 1031-15-8 Molecular Formula: C19H18ClP Molecular Weight (g/mol): 312.78 MDL Number: MFCD00797851 InChI Key: QRPRIOOKPZSVFN-UHFFFAOYSA-M Synonym: methyltriphenylphosphonium chloride,methyl triphenyl phosphonium chloride,phosphonium, methyltriphenyl-, chloride,methyltriphenylphosphanium chloride,methyltriphenylphosphoniumchloride,methyl triphenylphosphoniumchloride,methyl triphenylphosphonium chloride,methyl triphenyl phosphanium chloride PubChem CID: 9879809 IUPAC Name: methyltriphenylphosphanium chloride SMILES: [Cl-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 9879809 |
|---|---|
| CAS | 1031-15-8 |
| Molecular Weight (g/mol) | 312.78 |
| MDL Number | MFCD00797851 |
| SMILES | [Cl-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | methyltriphenylphosphonium chloride,methyl triphenyl phosphonium chloride,phosphonium, methyltriphenyl-, chloride,methyltriphenylphosphanium chloride,methyltriphenylphosphoniumchloride,methyl triphenylphosphoniumchloride,methyl triphenylphosphonium chloride,methyl triphenyl phosphanium chloride |
| IUPAC Name | methyltriphenylphosphanium chloride |
| InChI Key | QRPRIOOKPZSVFN-UHFFFAOYSA-M |
| Molecular Formula | C19H18ClP |
4'-Bromosalicylanilide 98.0+%, TCI America™
CAS: 2627-77-2 Molecular Formula: C13H10BrNO2 Molecular Weight (g/mol): 292.13 MDL Number: MFCD00059615 InChI Key: DKQMTUHJJPFJRL-UHFFFAOYSA-N Synonym: 4′C-Bromo-2-hydroxybenzanilide PubChem CID: 75817 IUPAC Name: N-(4-bromophenyl)-2-hydroxybenzamide SMILES: OC1=CC=CC=C1C(=O)NC1=CC=C(Br)C=C1
| PubChem CID | 75817 |
|---|---|
| CAS | 2627-77-2 |
| Molecular Weight (g/mol) | 292.13 |
| MDL Number | MFCD00059615 |
| SMILES | OC1=CC=CC=C1C(=O)NC1=CC=C(Br)C=C1 |
| Synonym | 4′C-Bromo-2-hydroxybenzanilide |
| IUPAC Name | N-(4-bromophenyl)-2-hydroxybenzamide |
| InChI Key | DKQMTUHJJPFJRL-UHFFFAOYSA-N |
| Molecular Formula | C13H10BrNO2 |
2-Bromobenzonitrile 98.0+%, TCI America™
CAS: 2042-37-7 Molecular Formula: C7H4BrN Molecular Weight (g/mol): 182.02 MDL Number: MFCD00001772 InChI Key: AFMPMSCZPVNPEM-UHFFFAOYSA-N Synonym: o-bromobenzonitrile,1-bromo-2-cyanobenzene,benzonitrile, 2-bromo,benzonitrile, o-bromo,2-bromobenzenecarbonitrile,o-bromocyanobenzene,2-cyanobromobenzene,2-bromo-benzonitrile,bromobenzonitrile 2-,bromobenzonitrile PubChem CID: 16272 IUPAC Name: 2-bromobenzonitrile SMILES: BrC1=CC=CC=C1C#N
| PubChem CID | 16272 |
|---|---|
| CAS | 2042-37-7 |
| Molecular Weight (g/mol) | 182.02 |
| MDL Number | MFCD00001772 |
| SMILES | BrC1=CC=CC=C1C#N |
| Synonym | o-bromobenzonitrile,1-bromo-2-cyanobenzene,benzonitrile, 2-bromo,benzonitrile, o-bromo,2-bromobenzenecarbonitrile,o-bromocyanobenzene,2-cyanobromobenzene,2-bromo-benzonitrile,bromobenzonitrile 2-,bromobenzonitrile |
| IUPAC Name | 2-bromobenzonitrile |
| InChI Key | AFMPMSCZPVNPEM-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrN |
2-Naphthyl Benzoate 98.0+%, TCI America™
CAS: 93-44-7 Molecular Formula: C17H12O2 Molecular Weight (g/mol): 248.281 MDL Number: MFCD00014320 InChI Key: DWJIJRSTYFPKGD-UHFFFAOYSA-N Synonym: 2-naphthyl benzoate,benzonaphthol,2-naphthalenol, benzoate,betabenzon,2-benzoyloxynaphthalene,2-naphthylbenzoate,2-naphthol benzoate,beta-naphthol benzoate,beta-naphthyl benzoate,benzoic acid 2-naphthyl ester PubChem CID: 66734 IUPAC Name: naphthalen-2-yl benzoate SMILES: C1=CC=C(C=C1)C(=O)OC2=CC3=CC=CC=C3C=C2
| PubChem CID | 66734 |
|---|---|
| CAS | 93-44-7 |
| Molecular Weight (g/mol) | 248.281 |
| MDL Number | MFCD00014320 |
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC3=CC=CC=C3C=C2 |
| Synonym | 2-naphthyl benzoate,benzonaphthol,2-naphthalenol, benzoate,betabenzon,2-benzoyloxynaphthalene,2-naphthylbenzoate,2-naphthol benzoate,beta-naphthol benzoate,beta-naphthyl benzoate,benzoic acid 2-naphthyl ester |
| IUPAC Name | naphthalen-2-yl benzoate |
| InChI Key | DWJIJRSTYFPKGD-UHFFFAOYSA-N |
| Molecular Formula | C17H12O2 |
2-Bromo-4-fluoroaniline 98.0+%, TCI America™
CAS: 1003-98-1 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.015 MDL Number: MFCD00042462 InChI Key: YLMFXCIATJJKQL-UHFFFAOYSA-N Synonym: 2-bromo-4-fluorobenzenamine,4-fluoro-2-bromoaniline,2-bromo-4-fluoro-aniline,benzenamine, 2-bromo-4-fluoro,2-bromo-4-fluoro-phenylamine,2-bromo-4-fluoro aniline,2-bromo-4-fluorophenylamine,2-brom-4-fluoranilin,bromofluoroaniline1,pubchem2918 PubChem CID: 242873 IUPAC Name: 2-bromo-4-fluoroaniline SMILES: C1=CC(=C(C=C1F)Br)N
| PubChem CID | 242873 |
|---|---|
| CAS | 1003-98-1 |
| Molecular Weight (g/mol) | 190.015 |
| MDL Number | MFCD00042462 |
| SMILES | C1=CC(=C(C=C1F)Br)N |
| Synonym | 2-bromo-4-fluorobenzenamine,4-fluoro-2-bromoaniline,2-bromo-4-fluoro-aniline,benzenamine, 2-bromo-4-fluoro,2-bromo-4-fluoro-phenylamine,2-bromo-4-fluoro aniline,2-bromo-4-fluorophenylamine,2-brom-4-fluoranilin,bromofluoroaniline1,pubchem2918 |
| IUPAC Name | 2-bromo-4-fluoroaniline |
| InChI Key | YLMFXCIATJJKQL-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
Allyl Benzoate 98.0+%, TCI America™
CAS: 583-04-0 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00026104 InChI Key: LYJHVEDILOKZCG-UHFFFAOYSA-N Synonym: Benzoic Acid Allyl Ester PubChem CID: 11406 IUPAC Name: prop-2-enyl benzoate SMILES: C=CCOC(=O)C1=CC=CC=C1
| PubChem CID | 11406 |
|---|---|
| CAS | 583-04-0 |
| Molecular Weight (g/mol) | 162.188 |
| MDL Number | MFCD00026104 |
| SMILES | C=CCOC(=O)C1=CC=CC=C1 |
| Synonym | Benzoic Acid Allyl Ester |
| IUPAC Name | prop-2-enyl benzoate |
| InChI Key | LYJHVEDILOKZCG-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
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 |
4-Bromo-2-methylaniline 98.0+%, TCI America™
CAS: 583-75-5 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00007825 InChI Key: PCHYYOCUCGCSBU-UHFFFAOYSA-N Synonym: 2-amino-5-bromotoluene,4-bromo-o-toluidine,2-methyl-4-bromoaniline,benzenamine, 4-bromo-2-methyl,o-toluidine, 4-bromo,4-bromo-2-methyl-phenylamine,4-bromo-2-methylbenzenamine,5-bromo-2-aminotoluene,1-amino-4-bromo-2-methylbenzene,4-bromo-2-methylbenenamine PubChem CID: 11423 IUPAC Name: 4-bromo-2-methylaniline SMILES: CC1=CC(Br)=CC=C1N
| PubChem CID | 11423 |
|---|---|
| CAS | 583-75-5 |
| Molecular Weight (g/mol) | 186.05 |
| MDL Number | MFCD00007825 |
| SMILES | CC1=CC(Br)=CC=C1N |
| Synonym | 2-amino-5-bromotoluene,4-bromo-o-toluidine,2-methyl-4-bromoaniline,benzenamine, 4-bromo-2-methyl,o-toluidine, 4-bromo,4-bromo-2-methyl-phenylamine,4-bromo-2-methylbenzenamine,5-bromo-2-aminotoluene,1-amino-4-bromo-2-methylbenzene,4-bromo-2-methylbenenamine |
| IUPAC Name | 4-bromo-2-methylaniline |
| InChI Key | PCHYYOCUCGCSBU-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrN |