Benzene and substituted derivatives
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Dimethyl Terephthalate 99.0+%, TCI America™
CAS: 120-61-6 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008440 InChI Key: WOZVHXUHUFLZGK-UHFFFAOYSA-N Synonym: dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate PubChem CID: 8441 IUPAC Name: 1,4-dimethyl benzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC
| PubChem CID | 8441 |
|---|---|
| CAS | 120-61-6 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00008440 |
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)OC |
| Synonym | dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate |
| IUPAC Name | 1,4-dimethyl benzene-1,4-dicarboxylate |
| InChI Key | WOZVHXUHUFLZGK-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
4-(Diphenylphosphino)benzoic Acid 97.0+%, TCI America™
CAS: 2129-31-9 Molecular Formula: C19H15O2P Molecular Weight (g/mol): 306.30 MDL Number: MFCD00407264 InChI Key: GXMHDTPYKRTARV-UHFFFAOYSA-N Synonym: 4-diphenylphosphino benzoic acid,benzoic acid, 4-diphenylphosphino,4-diphenylphosphanyl-benzoic acid,diphenyl p-carboxyphenyl phosphine,4-diphenylphosphanyl benzoic acid,4-diphenylphosphanyl-benzoesaeure,acmc-209fit,4-diphenylphosphino benzoicacid,p-diphenylphosphino benzoic acid,4-carboxyphenyl diphenylphosphine PubChem CID: 627824 IUPAC Name: 4-(diphenylphosphanyl)benzoic acid SMILES: OC(=O)C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 627824 |
|---|---|
| CAS | 2129-31-9 |
| Molecular Weight (g/mol) | 306.30 |
| MDL Number | MFCD00407264 |
| SMILES | OC(=O)C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 4-diphenylphosphino benzoic acid,benzoic acid, 4-diphenylphosphino,4-diphenylphosphanyl-benzoic acid,diphenyl p-carboxyphenyl phosphine,4-diphenylphosphanyl benzoic acid,4-diphenylphosphanyl-benzoesaeure,acmc-209fit,4-diphenylphosphino benzoicacid,p-diphenylphosphino benzoic acid,4-carboxyphenyl diphenylphosphine |
| IUPAC Name | 4-(diphenylphosphanyl)benzoic acid |
| InChI Key | GXMHDTPYKRTARV-UHFFFAOYSA-N |
| Molecular Formula | C19H15O2P |
N-(2'-Cyanobiphenyl-4-ylmethyl)-L-valine Methyl Ester Hydrochloride 98.0+%, TCI America™
CAS: 482577-59-3 Molecular Formula: C20H23ClN2O2 Molecular Weight (g/mol): 358.866 MDL Number: MFCD08460094 InChI Key: AZQXUWUZQLZNIM-FYZYNONXSA-N PubChem CID: 16744793 IUPAC Name: methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate;hydrochloride SMILES: CC(C)C(C(=O)OC)NCC1=CC=C(C=C1)C2=CC=CC=C2C#N.Cl
| PubChem CID | 16744793 |
|---|---|
| CAS | 482577-59-3 |
| Molecular Weight (g/mol) | 358.866 |
| MDL Number | MFCD08460094 |
| SMILES | CC(C)C(C(=O)OC)NCC1=CC=C(C=C1)C2=CC=CC=C2C#N.Cl |
| IUPAC Name | methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate;hydrochloride |
| InChI Key | AZQXUWUZQLZNIM-FYZYNONXSA-N |
| Molecular Formula | C20H23ClN2O2 |
3-Oxo-N-(4-trifluoromethylphenyl)butyramide 98.0+%, TCI America™
CAS: 351-87-1 Molecular Formula: C11H10F3NO2 Molecular Weight (g/mol): 245.201 MDL Number: MFCD00231301 InChI Key: GGDAWUSJZZHVBR-UHFFFAOYSA-N Synonym: 4′C-(Trifluoromethyl)acetoacetanilide PubChem CID: 1472078 IUPAC Name: 3-oxo-N-[4-(trifluoromethyl)phenyl]butanamide SMILES: CC(=O)CC(=O)NC1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 1472078 |
|---|---|
| CAS | 351-87-1 |
| Molecular Weight (g/mol) | 245.201 |
| MDL Number | MFCD00231301 |
| SMILES | CC(=O)CC(=O)NC1=CC=C(C=C1)C(F)(F)F |
| Synonym | 4′C-(Trifluoromethyl)acetoacetanilide |
| IUPAC Name | 3-oxo-N-[4-(trifluoromethyl)phenyl]butanamide |
| InChI Key | GGDAWUSJZZHVBR-UHFFFAOYSA-N |
| Molecular Formula | C11H10F3NO2 |
Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II) 98.0+%, TCI America™
CAS: 205319-10-4 Molecular Formula: C39H32Cl2OP2Pd Molecular Weight (g/mol): 755.95 MDL Number: MFCD14155707 InChI Key: MNBAPNBMBOYNAW-UHFFFAOYSA-L Synonym: dichloro 9,9-dimethyl-4,5-bis diphenylphosphino xanthene palladium ii,palladium 2+ xantphos dichloride,4,5-bis diphenylphosphino-9,9-dimethylxanthene dichloropalladium ii,4,5-bis diphenylphosphino-9,9-dimethylxanthene palladium ii dichloride PubChem CID: 86280406 IUPAC Name: [5-(diphenylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphane; dichloropalladiumbis(ylium) SMILES: Cl[Pd++]Cl.CC1(C)C2=C(OC3=C1C=CC=C3P(C1=CC=CC=C1)C1=CC=CC=C1)C(=CC=C2)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 86280406 |
|---|---|
| CAS | 205319-10-4 |
| Molecular Weight (g/mol) | 755.95 |
| MDL Number | MFCD14155707 |
| SMILES | Cl[Pd++]Cl.CC1(C)C2=C(OC3=C1C=CC=C3P(C1=CC=CC=C1)C1=CC=CC=C1)C(=CC=C2)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | dichloro 9,9-dimethyl-4,5-bis diphenylphosphino xanthene palladium ii,palladium 2+ xantphos dichloride,4,5-bis diphenylphosphino-9,9-dimethylxanthene dichloropalladium ii,4,5-bis diphenylphosphino-9,9-dimethylxanthene palladium ii dichloride |
| IUPAC Name | [5-(diphenylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphane; dichloropalladiumbis(ylium) |
| InChI Key | MNBAPNBMBOYNAW-UHFFFAOYSA-L |
| Molecular Formula | C39H32Cl2OP2Pd |
4,5-Dichloro-2-nitrotoluene 98.0+%, TCI America™
CAS: 7494-45-3 Molecular Formula: C7H5Cl2NO2 Molecular Weight (g/mol): 206.022 InChI Key: AOTWCYSQDSKAQT-UHFFFAOYSA-N PubChem CID: 343795 IUPAC Name: 1,2-dichloro-4-methyl-5-nitrobenzene SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
| PubChem CID | 343795 |
|---|---|
| CAS | 7494-45-3 |
| Molecular Weight (g/mol) | 206.022 |
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl |
| IUPAC Name | 1,2-dichloro-4-methyl-5-nitrobenzene |
| InChI Key | AOTWCYSQDSKAQT-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl2NO2 |
4-Fluorohippuric Acid 98.0+%, TCI America™
CAS: 366-79-0 Molecular Formula: C9H7FNO3 Molecular Weight (g/mol): 196.16 MDL Number: MFCD00462263 InChI Key: NVWXSGQHHUSSOU-UHFFFAOYSA-M Synonym: N-(4-Fluorobenzoyl)glycine, 2-(4-Fluorobenzamido)acetic Acid PubChem CID: 699341 IUPAC Name: 2-[(4-fluorophenyl)formamido]acetate SMILES: [O-]C(=O)CNC(=O)C1=CC=C(F)C=C1
| PubChem CID | 699341 |
|---|---|
| CAS | 366-79-0 |
| Molecular Weight (g/mol) | 196.16 |
| MDL Number | MFCD00462263 |
| SMILES | [O-]C(=O)CNC(=O)C1=CC=C(F)C=C1 |
| Synonym | N-(4-Fluorobenzoyl)glycine, 2-(4-Fluorobenzamido)acetic Acid |
| IUPAC Name | 2-[(4-fluorophenyl)formamido]acetate |
| InChI Key | NVWXSGQHHUSSOU-UHFFFAOYSA-M |
| Molecular Formula | C9H7FNO3 |
o-Tolualdehyde 98.0+%, TCI America™
CAS: 529-20-4 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00003338 InChI Key: BTFQKIATRPGRBS-UHFFFAOYSA-N Synonym: o-tolualdehyde,2-tolualdehyde,2-formyltoluene,o-toluylaldehyde,o-toluic aldehyde,o-tolylaldehyde,o-methylbenzaldehyde,benzaldehyde, 2-methyl,2-methyl-benzaldehyde,o-methylbenazldehyde PubChem CID: 10722 ChEBI: CHEBI:27434 IUPAC Name: 2-methylbenzaldehyde SMILES: CC1=CC=CC=C1C=O
| PubChem CID | 10722 |
|---|---|
| CAS | 529-20-4 |
| Molecular Weight (g/mol) | 120.151 |
| ChEBI | CHEBI:27434 |
| MDL Number | MFCD00003338 |
| SMILES | CC1=CC=CC=C1C=O |
| Synonym | o-tolualdehyde,2-tolualdehyde,2-formyltoluene,o-toluylaldehyde,o-toluic aldehyde,o-tolylaldehyde,o-methylbenzaldehyde,benzaldehyde, 2-methyl,2-methyl-benzaldehyde,o-methylbenazldehyde |
| IUPAC Name | 2-methylbenzaldehyde |
| InChI Key | BTFQKIATRPGRBS-UHFFFAOYSA-N |
| Molecular Formula | C8H8O |
Pentafluorobenzoic Acid 98.0+%, TCI America™
CAS: 602-94-8 Molecular Formula: C7HF5O2 Molecular Weight (g/mol): 212.08 MDL Number: MFCD00002406 InChI Key: YZERDTREOUSUHF-UHFFFAOYSA-N Synonym: pentafluorobenzoic acid,perfluorobenzoic acid,benzoic acid, pentafluoro,benzoic acid, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorobenzoicacid,pubchem2320,acmc-1b1wz,4-09-00-00956 beilstein handbook reference,ksc355e3b,rarechem al bo 0017 PubChem CID: 11770 ChEBI: CHEBI:46796 IUPAC Name: pentafluorobenzoic acid SMILES: OC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 11770 |
|---|---|
| CAS | 602-94-8 |
| Molecular Weight (g/mol) | 212.08 |
| ChEBI | CHEBI:46796 |
| MDL Number | MFCD00002406 |
| SMILES | OC(=O)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | pentafluorobenzoic acid,perfluorobenzoic acid,benzoic acid, pentafluoro,benzoic acid, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorobenzoicacid,pubchem2320,acmc-1b1wz,4-09-00-00956 beilstein handbook reference,ksc355e3b,rarechem al bo 0017 |
| IUPAC Name | pentafluorobenzoic acid |
| InChI Key | YZERDTREOUSUHF-UHFFFAOYSA-N |
| Molecular Formula | C7HF5O2 |
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 |
Tris(4-chlorophenyl) Borate 97.0+%, TCI America™
CAS: 7359-58-2 Molecular Formula: C18H12BCl3O3 Molecular Weight (g/mol): 393.451 MDL Number: MFCD00191614 InChI Key: JOAZIIBFQMIXJM-UHFFFAOYSA-N Synonym: Boric Acid Tris(4-chlorophenyl) Ester PubChem CID: 633786 IUPAC Name: tris(4-chlorophenyl) borate SMILES: B(OC1=CC=C(C=C1)Cl)(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl
| PubChem CID | 633786 |
|---|---|
| CAS | 7359-58-2 |
| Molecular Weight (g/mol) | 393.451 |
| MDL Number | MFCD00191614 |
| SMILES | B(OC1=CC=C(C=C1)Cl)(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl |
| Synonym | Boric Acid Tris(4-chlorophenyl) Ester |
| IUPAC Name | tris(4-chlorophenyl) borate |
| InChI Key | JOAZIIBFQMIXJM-UHFFFAOYSA-N |
| Molecular Formula | C18H12BCl3O3 |
3,5-Difluorobenzaldehyde 98.0+%, TCI America™
CAS: 32085-88-4 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.105 MDL Number: MFCD00010329 InChI Key: ASOFZHSTJHGQDT-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-difluoro,3,5-difluoro-benzaldehyde,pubchem1414,3,5difluorobenzaldehyde,acmc-1aewe,3,5-diflourobenzaldehyde,3-5-difluorobenzaldehyde,3, 5-difluorobenzaldehyde,ksc224o7p,3,5-difluorophenyl methanone PubChem CID: 588160 IUPAC Name: 3,5-difluorobenzaldehyde SMILES: C1=C(C=C(C=C1F)F)C=O
| PubChem CID | 588160 |
|---|---|
| CAS | 32085-88-4 |
| Molecular Weight (g/mol) | 142.105 |
| MDL Number | MFCD00010329 |
| SMILES | C1=C(C=C(C=C1F)F)C=O |
| Synonym | benzaldehyde, 3,5-difluoro,3,5-difluoro-benzaldehyde,pubchem1414,3,5difluorobenzaldehyde,acmc-1aewe,3,5-diflourobenzaldehyde,3-5-difluorobenzaldehyde,3, 5-difluorobenzaldehyde,ksc224o7p,3,5-difluorophenyl methanone |
| IUPAC Name | 3,5-difluorobenzaldehyde |
| InChI Key | ASOFZHSTJHGQDT-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O |
Methyl 2-Chloro-4-fluorobenzoate 98.0+%, TCI America™
CAS: 85953-29-3 Molecular Formula: C8H6ClFO2 Molecular Weight (g/mol): 188.582 MDL Number: MFCD00173937 InChI Key: YZDLPZNWBRBZMZ-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorobenzoic acid methyl ester,methyl 2-chloro-4-fluorobenzenecarboxylate,benzoic acid, 2-chloro-4-fluoro-, methyl ester,2-chloro-4-fluoro-benzoic acid methyl ester,pubchem18760,rarechem al bf 0289,acmc-209q7x,ksc495c1p,methyl 2-chloro-4-fluorob...,methy 2-chloro-4-fluorobenzoate PubChem CID: 2763551 IUPAC Name: methyl 2-chloro-4-fluorobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)F)Cl
| PubChem CID | 2763551 |
|---|---|
| CAS | 85953-29-3 |
| Molecular Weight (g/mol) | 188.582 |
| MDL Number | MFCD00173937 |
| SMILES | COC(=O)C1=C(C=C(C=C1)F)Cl |
| Synonym | 2-chloro-4-fluorobenzoic acid methyl ester,methyl 2-chloro-4-fluorobenzenecarboxylate,benzoic acid, 2-chloro-4-fluoro-, methyl ester,2-chloro-4-fluoro-benzoic acid methyl ester,pubchem18760,rarechem al bf 0289,acmc-209q7x,ksc495c1p,methyl 2-chloro-4-fluorob...,methy 2-chloro-4-fluorobenzoate |
| IUPAC Name | methyl 2-chloro-4-fluorobenzoate |
| InChI Key | YZDLPZNWBRBZMZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClFO2 |
3-Amino-N-methylbenzylamine 97.0+%, TCI America™
CAS: 18759-96-1 Molecular Formula: C8H12N2 Molecular Weight (g/mol): 136.20 MDL Number: MFCD00211072 InChI Key: HBLPYXIZPMDWIO-UHFFFAOYSA-N Synonym: 3-(Methylaminomethyl)aniline PubChem CID: 11643936 IUPAC Name: 3-[(methylamino)methyl]aniline SMILES: CNCC1=CC(N)=CC=C1
| PubChem CID | 11643936 |
|---|---|
| CAS | 18759-96-1 |
| Molecular Weight (g/mol) | 136.20 |
| MDL Number | MFCD00211072 |
| SMILES | CNCC1=CC(N)=CC=C1 |
| Synonym | 3-(Methylaminomethyl)aniline |
| IUPAC Name | 3-[(methylamino)methyl]aniline |
| InChI Key | HBLPYXIZPMDWIO-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2 |
4-Amino-p-terphenyl 97.0+%, TCI America™
CAS: 7293-45-0 Molecular Formula: C18H15N Molecular Weight (g/mol): 245.325 MDL Number: MFCD00191302 InChI Key: ATGIXVUZFPZOHP-UHFFFAOYSA-N PubChem CID: 350072 IUPAC Name: 4-(4-phenylphenyl)aniline SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N
| PubChem CID | 350072 |
|---|---|
| CAS | 7293-45-0 |
| Molecular Weight (g/mol) | 245.325 |
| MDL Number | MFCD00191302 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N |
| IUPAC Name | 4-(4-phenylphenyl)aniline |
| InChI Key | ATGIXVUZFPZOHP-UHFFFAOYSA-N |
| Molecular Formula | C18H15N |