Benzene and substituted derivatives
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2,2-Bis(4-cyanatophenyl)propane 98.0+%, TCI America™
CAS: 1156-51-0 Molecular Formula: C17H14N2O2 Molecular Weight (g/mol): 278.311 MDL Number: MFCD00037423 InChI Key: AHZMUXQJTGRNHT-UHFFFAOYSA-N Synonym: Bisphenol A Dicyanate, 4,4′C-Isopropylidenebis(cyanatobenzene) PubChem CID: 70872 IUPAC Name: [4-[2-(4-cyanatophenyl)propan-2-yl]phenyl] cyanate SMILES: CC(C)(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N
| PubChem CID | 70872 |
|---|---|
| CAS | 1156-51-0 |
| Molecular Weight (g/mol) | 278.311 |
| MDL Number | MFCD00037423 |
| SMILES | CC(C)(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N |
| Synonym | Bisphenol A Dicyanate, 4,4′C-Isopropylidenebis(cyanatobenzene) |
| IUPAC Name | [4-[2-(4-cyanatophenyl)propan-2-yl]phenyl] cyanate |
| InChI Key | AHZMUXQJTGRNHT-UHFFFAOYSA-N |
| Molecular Formula | C17H14N2O2 |
(2-Bromophenyl)diphenylphosphine 95.0+%, TCI America™
CAS: 62336-24-7 Molecular Formula: C18H14BrP Molecular Weight (g/mol): 341.19 MDL Number: MFCD00045014 InChI Key: XIONUQPOXCUMMB-UHFFFAOYSA-N PubChem CID: 112836 IUPAC Name: (2-bromophenyl)diphenylphosphane SMILES: BrC1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 112836 |
|---|---|
| CAS | 62336-24-7 |
| Molecular Weight (g/mol) | 341.19 |
| MDL Number | MFCD00045014 |
| SMILES | BrC1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | (2-bromophenyl)diphenylphosphane |
| InChI Key | XIONUQPOXCUMMB-UHFFFAOYSA-N |
| Molecular Formula | C18H14BrP |
N,N-Dimethylbenzylamine 98.0+%, TCI America™
CAS: 103-83-3 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008329 InChI Key: XXBDWLFCJWSEKW-UHFFFAOYSA-N Synonym: n,n-dimethylbenzylamine,benzyldimethylamine,n-benzyldimethylamine,dimethylbenzylamine,bdma,benzenemethanamine, n,n-dimethyl,benzyl-n,n-dimethylamine,n-phenylmethyl dimethylamine,n,n-dimethylbenzenemethanamine,araldite accelerator 062 PubChem CID: 7681 IUPAC Name: benzyldimethylamine SMILES: CN(C)CC1=CC=CC=C1
| PubChem CID | 7681 |
|---|---|
| CAS | 103-83-3 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00008329 |
| SMILES | CN(C)CC1=CC=CC=C1 |
| Synonym | n,n-dimethylbenzylamine,benzyldimethylamine,n-benzyldimethylamine,dimethylbenzylamine,bdma,benzenemethanamine, n,n-dimethyl,benzyl-n,n-dimethylamine,n-phenylmethyl dimethylamine,n,n-dimethylbenzenemethanamine,araldite accelerator 062 |
| IUPAC Name | benzyldimethylamine |
| InChI Key | XXBDWLFCJWSEKW-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
Ethyl 3-Bromobenzoate 98.0+%, TCI America™
CAS: 24398-88-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00013529 InChI Key: QAUASTLEZAPQTB-UHFFFAOYSA-N Synonym: ethyl3-bromobenzoate,3-bromobenzoic acid ethyl ester,benzoic acid, 3-bromo-, ethyl ester,ethyl-3-bromobenzoate,benzoic acid, m-bromo-, ethyl ester,m-bromo benzoic acid ethyl ester,m-bromobenzoic acid, ethyl ester,pubchem3941,acmc-209gbv,ethyl 3-bromobenzoate PubChem CID: 90488 IUPAC Name: ethyl 3-bromobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)Br
| PubChem CID | 90488 |
|---|---|
| CAS | 24398-88-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00013529 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)Br |
| Synonym | ethyl3-bromobenzoate,3-bromobenzoic acid ethyl ester,benzoic acid, 3-bromo-, ethyl ester,ethyl-3-bromobenzoate,benzoic acid, m-bromo-, ethyl ester,m-bromo benzoic acid ethyl ester,m-bromobenzoic acid, ethyl ester,pubchem3941,acmc-209gbv,ethyl 3-bromobenzoate |
| IUPAC Name | ethyl 3-bromobenzoate |
| InChI Key | QAUASTLEZAPQTB-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
2-(Diphenylphosphino)benzonitrile 98.0+%, TCI America™
CAS: 34825-99-5 Molecular Formula: C19H14NP Molecular Weight (g/mol): 287.302 MDL Number: MFCD05864011 InChI Key: FEOUZPAYKDNQBW-UHFFFAOYSA-N Synonym: (2-Cyanophenyl)diphenylphosphine PubChem CID: 4590862 IUPAC Name: 2-diphenylphosphanylbenzonitrile SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C#N
| PubChem CID | 4590862 |
|---|---|
| CAS | 34825-99-5 |
| Molecular Weight (g/mol) | 287.302 |
| MDL Number | MFCD05864011 |
| SMILES | C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C#N |
| Synonym | (2-Cyanophenyl)diphenylphosphine |
| IUPAC Name | 2-diphenylphosphanylbenzonitrile |
| InChI Key | FEOUZPAYKDNQBW-UHFFFAOYSA-N |
| Molecular Formula | C19H14NP |
3-Bromo-5-fluorobenzoic Acid 98.0+%, TCI America™
CAS: 176548-70-2 Molecular Formula: C7H3BrFO2 Molecular Weight (g/mol): 218.00 MDL Number: MFCD01569540 InChI Key: KLSLJMGWUPAQGZ-UHFFFAOYSA-M Synonym: 5-bromo-3-fluorobenzoic acid,3-fluoro-5-bromobenzoic acid,3-bromo-5-fluorobenzoicacid,5-fluoro-3-bromobenzoic acid,3-bromo-5-fluoro-benzoic acid,3-bromo-5-fluoro benzoic acid,buttpark 24\01-97,benzoic acid, 3-bromo-5-fluoro,pubchem2154,acmc-1c8tm PubChem CID: 2773339 IUPAC Name: 3-bromo-5-fluorobenzoate SMILES: [O-]C(=O)C1=CC(F)=CC(Br)=C1
| PubChem CID | 2773339 |
|---|---|
| CAS | 176548-70-2 |
| Molecular Weight (g/mol) | 218.00 |
| MDL Number | MFCD01569540 |
| SMILES | [O-]C(=O)C1=CC(F)=CC(Br)=C1 |
| Synonym | 5-bromo-3-fluorobenzoic acid,3-fluoro-5-bromobenzoic acid,3-bromo-5-fluorobenzoicacid,5-fluoro-3-bromobenzoic acid,3-bromo-5-fluoro-benzoic acid,3-bromo-5-fluoro benzoic acid,buttpark 24\01-97,benzoic acid, 3-bromo-5-fluoro,pubchem2154,acmc-1c8tm |
| IUPAC Name | 3-bromo-5-fluorobenzoate |
| InChI Key | KLSLJMGWUPAQGZ-UHFFFAOYSA-M |
| Molecular Formula | C7H3BrFO2 |
2-Iodohippuric Acid 99.0+%, TCI America™
CAS: 147-58-0 Molecular Formula: C9H8INO3 Molecular Weight (g/mol): 305.071 MDL Number: MFCD00002694 InChI Key: CORFWQGVBFFZHF-UHFFFAOYSA-N Synonym: N-(2-Iodobenzoyl)glycine PubChem CID: 8614 IUPAC Name: 2-[(2-iodobenzoyl)amino]acetic acid SMILES: C1=CC=C(C(=C1)C(=O)NCC(=O)O)I
| PubChem CID | 8614 |
|---|---|
| CAS | 147-58-0 |
| Molecular Weight (g/mol) | 305.071 |
| MDL Number | MFCD00002694 |
| SMILES | C1=CC=C(C(=C1)C(=O)NCC(=O)O)I |
| Synonym | N-(2-Iodobenzoyl)glycine |
| IUPAC Name | 2-[(2-iodobenzoyl)amino]acetic acid |
| InChI Key | CORFWQGVBFFZHF-UHFFFAOYSA-N |
| Molecular Formula | C9H8INO3 |
4-Bromo-2,6-difluorobenzyl Alcohol 98.0+%, TCI America™
CAS: 162744-59-4 Molecular Formula: C7H5BrF2O Molecular Weight (g/mol): 223.017 MDL Number: MFCD03094461 InChI Key: LSRHFWSNUFIKER-UHFFFAOYSA-N Synonym: 4-bromo-2,6-difluorobenzyl alcohol,4-bromo-2,6-difluorophenyl methanol,4-bromo-2,6-difluorobenzylalcohol,benzenemethanol, 4-bromo-2,6-difluoro,4-bromo-2,6-difluoro-benzenemethanol,2,6-difluoro-4-bromobenzyl alcohol,4-bromo-2,6-difluoro-phenyl methanol,2,6-difluoro-4-bromo benzyl alcohol,pubchem4882,acmc-209dox PubChem CID: 2773303 IUPAC Name: (4-bromo-2,6-difluorophenyl)methanol SMILES: C1=C(C=C(C(=C1F)CO)F)Br
| PubChem CID | 2773303 |
|---|---|
| CAS | 162744-59-4 |
| Molecular Weight (g/mol) | 223.017 |
| MDL Number | MFCD03094461 |
| SMILES | C1=C(C=C(C(=C1F)CO)F)Br |
| Synonym | 4-bromo-2,6-difluorobenzyl alcohol,4-bromo-2,6-difluorophenyl methanol,4-bromo-2,6-difluorobenzylalcohol,benzenemethanol, 4-bromo-2,6-difluoro,4-bromo-2,6-difluoro-benzenemethanol,2,6-difluoro-4-bromobenzyl alcohol,4-bromo-2,6-difluoro-phenyl methanol,2,6-difluoro-4-bromo benzyl alcohol,pubchem4882,acmc-209dox |
| IUPAC Name | (4-bromo-2,6-difluorophenyl)methanol |
| InChI Key | LSRHFWSNUFIKER-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF2O |
Phenoxybenzamine Hydrochloride 98.0+%, TCI America™
CAS: 63-92-3 Molecular Formula: C18H23Cl2NO Molecular Weight (g/mol): 340.288 MDL Number: MFCD00055152 InChI Key: VBCPVIWPDJVHAN-UHFFFAOYSA-N Synonym: phenoxybenzamine hydrochloride,dibenzyline,phenoxybenzamine hcl,n-benzyl-n-2-chloroethyl-1-phenoxypropan-2-amine hydrochloride,dibenzyline hydrochloride,phenoxybenzamine.hcl,bensylyt nen,phenoxybenzamine chloride,benzene methanamine PubChem CID: 5284441 ChEBI: CHEBI:8078 IUPAC Name: N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride SMILES: CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl
| PubChem CID | 5284441 |
|---|---|
| CAS | 63-92-3 |
| Molecular Weight (g/mol) | 340.288 |
| ChEBI | CHEBI:8078 |
| MDL Number | MFCD00055152 |
| SMILES | CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl |
| Synonym | phenoxybenzamine hydrochloride,dibenzyline,phenoxybenzamine hcl,n-benzyl-n-2-chloroethyl-1-phenoxypropan-2-amine hydrochloride,dibenzyline hydrochloride,phenoxybenzamine.hcl,bensylyt nen,phenoxybenzamine chloride,benzene methanamine |
| IUPAC Name | N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride |
| InChI Key | VBCPVIWPDJVHAN-UHFFFAOYSA-N |
| Molecular Formula | C18H23Cl2NO |
4-Methoxybenzoic Anhydride 97.0+%, TCI America™
CAS: 794-94-5 Molecular Formula: C16H14O5 Molecular Weight (g/mol): 286.283 MDL Number: MFCD00017175 InChI Key: YGMHIBLUWGDWKP-UHFFFAOYSA-N Synonym: 4-methoxybenzoic anhydride,p-anisic anhydride,p-anisic acid anhydride,benzoic acid, 4-methoxy-, anhydride,p-methoxybenzoic anhydride,4-anisic anhydride,4-methoxybenzoic acid anhydride,4-methoxybenzoyl 4-methoxybenzoate,4-methoxyphenyl anhydride,anisic anhydride PubChem CID: 69928 IUPAC Name: (4-methoxybenzoyl) 4-methoxybenzoate SMILES: COC1=CC=C(C=C1)C(=O)OC(=O)C2=CC=C(C=C2)OC
| PubChem CID | 69928 |
|---|---|
| CAS | 794-94-5 |
| Molecular Weight (g/mol) | 286.283 |
| MDL Number | MFCD00017175 |
| SMILES | COC1=CC=C(C=C1)C(=O)OC(=O)C2=CC=C(C=C2)OC |
| Synonym | 4-methoxybenzoic anhydride,p-anisic anhydride,p-anisic acid anhydride,benzoic acid, 4-methoxy-, anhydride,p-methoxybenzoic anhydride,4-anisic anhydride,4-methoxybenzoic acid anhydride,4-methoxybenzoyl 4-methoxybenzoate,4-methoxyphenyl anhydride,anisic anhydride |
| IUPAC Name | (4-methoxybenzoyl) 4-methoxybenzoate |
| InChI Key | YGMHIBLUWGDWKP-UHFFFAOYSA-N |
| Molecular Formula | C16H14O5 |
Ethyl 2,4,6-Trimethylbenzoate 95.0+%, TCI America™
CAS: 1754-55-8 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00015439 InChI Key: ZXTXIZPSMQCYBN-UHFFFAOYSA-N Synonym: 2,4,6-Trimethylbenzoic Acid Ethyl Ester, Ethyl Mesitylenecarboxylate, Mesitylenecarboxylic Acid Ethyl Ester PubChem CID: 74465 IUPAC Name: ethyl 2,4,6-trimethylbenzoate SMILES: CCOC(=O)C1=C(C=C(C=C1C)C)C
| PubChem CID | 74465 |
|---|---|
| CAS | 1754-55-8 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00015439 |
| SMILES | CCOC(=O)C1=C(C=C(C=C1C)C)C |
| Synonym | 2,4,6-Trimethylbenzoic Acid Ethyl Ester, Ethyl Mesitylenecarboxylate, Mesitylenecarboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 2,4,6-trimethylbenzoate |
| InChI Key | ZXTXIZPSMQCYBN-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
Tetramethylammonium p-Toluenesulfonate 99.0+%, TCI America™
CAS: 3983-91-3 Molecular Formula: C11H19NO3S Molecular Weight (g/mol): 245.34 MDL Number: MFCD00043173 InChI Key: FHVCZJGBXWNGIZ-UHFFFAOYSA-M PubChem CID: 6451622 IUPAC Name: tetramethylazanium 4-methylbenzene-1-sulfonate SMILES: C[N+](C)(C)C.CC1=CC=C(C=C1)S([O-])(=O)=O
| PubChem CID | 6451622 |
|---|---|
| CAS | 3983-91-3 |
| Molecular Weight (g/mol) | 245.34 |
| MDL Number | MFCD00043173 |
| SMILES | C[N+](C)(C)C.CC1=CC=C(C=C1)S([O-])(=O)=O |
| IUPAC Name | tetramethylazanium 4-methylbenzene-1-sulfonate |
| InChI Key | FHVCZJGBXWNGIZ-UHFFFAOYSA-M |
| Molecular Formula | C11H19NO3S |
4-(Trifluoromethoxy)benzoic Acid 97.0+%, TCI America™
CAS: 330-12-1 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD00002541 InChI Key: RATSANVPHHXDCT-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy benzoic acid,p-trifluoromethoxybenzoic acid,4-trifluoromethoxy-benzoic acid,p-carboxyphenyl trifluoromethyl ether,4-trifluoromethoxy benzoicacid,benzoic acid, 4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-p-anisic acid,pubchem4593,acmc-1cp95,ksc225q9l PubChem CID: 67613 IUPAC Name: 4-(trifluoromethoxy)benzoic acid SMILES: C1=CC(=CC=C1C(=O)O)OC(F)(F)F
| PubChem CID | 67613 |
|---|---|
| CAS | 330-12-1 |
| Molecular Weight (g/mol) | 206.12 |
| MDL Number | MFCD00002541 |
| SMILES | C1=CC(=CC=C1C(=O)O)OC(F)(F)F |
| Synonym | 4-trifluoromethoxy benzoic acid,p-trifluoromethoxybenzoic acid,4-trifluoromethoxy-benzoic acid,p-carboxyphenyl trifluoromethyl ether,4-trifluoromethoxy benzoicacid,benzoic acid, 4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-p-anisic acid,pubchem4593,acmc-1cp95,ksc225q9l |
| IUPAC Name | 4-(trifluoromethoxy)benzoic acid |
| InChI Key | RATSANVPHHXDCT-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O3 |
4-Ethylbenzyl Alcohol 98.0+%, TCI America™
CAS: 768-59-2 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00004666 InChI Key: YSLBFFIVJGJBSA-UHFFFAOYSA-N PubChem CID: 13034 IUPAC Name: (4-ethylphenyl)methanol SMILES: CCC1=CC=C(C=C1)CO
| PubChem CID | 13034 |
|---|---|
| CAS | 768-59-2 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00004666 |
| SMILES | CCC1=CC=C(C=C1)CO |
| IUPAC Name | (4-ethylphenyl)methanol |
| InChI Key | YSLBFFIVJGJBSA-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
2-(Trifluoromethyl)benzyl Alcohol 98.0+%, TCI America™
CAS: 346-06-5 Molecular Formula: C8H7F3O Molecular Weight (g/mol): 176.14 MDL Number: MFCD00004621 InChI Key: TWQNSHZTQSLJEE-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzyl alcohol,2-trifluoromethyl phenyl methanol,o-trifluoromethylbenzyl alcohol,2-trifluoromethyl benzylalcohol,2-trifluoromethylbenzyl alcohol,o-trifluoromethyl benzyl alcohol,2-trifluoromethyl benzylic alcohol,benzenemethanol, 2-trifluoromethyl,2-trifluoromethyl phenyl methan-1-ol PubChem CID: 67666 IUPAC Name: [2-(trifluoromethyl)phenyl]methanol SMILES: OCC1=CC=CC=C1C(F)(F)F
| PubChem CID | 67666 |
|---|---|
| CAS | 346-06-5 |
| Molecular Weight (g/mol) | 176.14 |
| MDL Number | MFCD00004621 |
| SMILES | OCC1=CC=CC=C1C(F)(F)F |
| Synonym | 2-trifluoromethyl benzyl alcohol,2-trifluoromethyl phenyl methanol,o-trifluoromethylbenzyl alcohol,2-trifluoromethyl benzylalcohol,2-trifluoromethylbenzyl alcohol,o-trifluoromethyl benzyl alcohol,2-trifluoromethyl benzylic alcohol,benzenemethanol, 2-trifluoromethyl,2-trifluoromethyl phenyl methan-1-ol |
| IUPAC Name | [2-(trifluoromethyl)phenyl]methanol |
| InChI Key | TWQNSHZTQSLJEE-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3O |