Benzene and substituted derivatives
Filtered Search Results
trans,trans-4'-Ethyl-4-(4-trifluoromethoxyphenyl)bicyclohexyl 98.0+%, TCI America™
CAS: 135734-59-7 Molecular Formula: C21H29F3O Molecular Weight (g/mol): 354.457 MDL Number: MFCD09842837 InChI Key: PBIFTROFCZATFC-UHFFFAOYSA-N PubChem CID: 604782 IUPAC Name: 1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene SMILES: CCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OC(F)(F)F
| PubChem CID | 604782 |
|---|---|
| CAS | 135734-59-7 |
| Molecular Weight (g/mol) | 354.457 |
| MDL Number | MFCD09842837 |
| SMILES | CCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OC(F)(F)F |
| IUPAC Name | 1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene |
| InChI Key | PBIFTROFCZATFC-UHFFFAOYSA-N |
| Molecular Formula | C21H29F3O |
4-(1,1,3,3-Tetramethylbutyl)phenol 95.0+%, TCI America™
CAS: 140-66-9 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.329 MDL Number: MFCD00002368 InChI Key: ISAVYTVYFVQUDY-UHFFFAOYSA-N Synonym: 4-tert-octylphenol,p-tert-octylphenol,4-t-octylphenol,4-1,1,3,3-tetramethylbutyl phenol,4-2,4,4-trimethylpentan-2-yl phenol,p-terc.oktylfenol,para-tert-octylphenol,p-1,1,3,3-tetramethylbutyl phenol,phenol, 4-1,1,3,3-tetramethylbutyl,phenol, p-tert-octyl PubChem CID: 8814 ChEBI: CHEBI:34445 IUPAC Name: 4-(2,4,4-trimethylpentan-2-yl)phenol SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
| PubChem CID | 8814 |
|---|---|
| CAS | 140-66-9 |
| Molecular Weight (g/mol) | 206.329 |
| ChEBI | CHEBI:34445 |
| MDL Number | MFCD00002368 |
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O |
| Synonym | 4-tert-octylphenol,p-tert-octylphenol,4-t-octylphenol,4-1,1,3,3-tetramethylbutyl phenol,4-2,4,4-trimethylpentan-2-yl phenol,p-terc.oktylfenol,para-tert-octylphenol,p-1,1,3,3-tetramethylbutyl phenol,phenol, 4-1,1,3,3-tetramethylbutyl,phenol, p-tert-octyl |
| IUPAC Name | 4-(2,4,4-trimethylpentan-2-yl)phenol |
| InChI Key | ISAVYTVYFVQUDY-UHFFFAOYSA-N |
| Molecular Formula | C14H22O |
2-Bromobenzotrifluoride 98.0+%, TCI America™
CAS: 392-83-6 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 MDL Number: MFCD00000373 InChI Key: RWXUNIMBRXGNEP-UHFFFAOYSA-N Synonym: 2-bromobenzotrifluoride,1-bromo-2-trifluoromethyl benzene,o-bromobenzotrifluoride,benzene, 1-bromo-2-trifluoromethyl,2-bromo-alpha,alpha,alpha-trifluorotoluene,2-brombenzotrifluorid,o-bromobenzyltrifluoride,o-trifluoromethyl bromobenzene,2-bromotrifluorotoluene,2-brombenzotrifluorid czech PubChem CID: 9806 IUPAC Name: 1-bromo-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)Br
| PubChem CID | 9806 |
|---|---|
| CAS | 392-83-6 |
| Molecular Weight (g/mol) | 225.008 |
| MDL Number | MFCD00000373 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)Br |
| Synonym | 2-bromobenzotrifluoride,1-bromo-2-trifluoromethyl benzene,o-bromobenzotrifluoride,benzene, 1-bromo-2-trifluoromethyl,2-bromo-alpha,alpha,alpha-trifluorotoluene,2-brombenzotrifluorid,o-bromobenzyltrifluoride,o-trifluoromethyl bromobenzene,2-bromotrifluorotoluene,2-brombenzotrifluorid czech |
| IUPAC Name | 1-bromo-2-(trifluoromethyl)benzene |
| InChI Key | RWXUNIMBRXGNEP-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3 |
2-Fluoro-3-nitrotoluene 98.0+%, TCI America™
CAS: 437-86-5 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD03412242 InChI Key: NBCNUIXYBLFJMI-UHFFFAOYSA-N Synonym: 2-fluoro-3-nitrotoluene,2-fluoro-3-methylnitrobenzene,benzene, 2-fluoro-1-methyl-3-nitro,pubchem1591,2-fluor-3-nitrotoluol,acmc-1agoj,ksc235o7n,2-fluoro-3-methyl-nitrobenzene,2-fluoro-1-methyl-3-nitro-benzene,1-methyl-2-fluoro-3-nitro-benzene PubChem CID: 13470957 IUPAC Name: 2-fluoro-1-methyl-3-nitrobenzene SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])F
| PubChem CID | 13470957 |
|---|---|
| CAS | 437-86-5 |
| Molecular Weight (g/mol) | 155.128 |
| MDL Number | MFCD03412242 |
| SMILES | CC1=C(C(=CC=C1)[N+](=O)[O-])F |
| Synonym | 2-fluoro-3-nitrotoluene,2-fluoro-3-methylnitrobenzene,benzene, 2-fluoro-1-methyl-3-nitro,pubchem1591,2-fluor-3-nitrotoluol,acmc-1agoj,ksc235o7n,2-fluoro-3-methyl-nitrobenzene,2-fluoro-1-methyl-3-nitro-benzene,1-methyl-2-fluoro-3-nitro-benzene |
| IUPAC Name | 2-fluoro-1-methyl-3-nitrobenzene |
| InChI Key | NBCNUIXYBLFJMI-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO2 |
4-Isopropoxyaniline 98.0+%, TCI America™
CAS: 7664-66-6 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00059188 InChI Key: MLNFMFAMNBGAQT-UHFFFAOYSA-N PubChem CID: 82112 IUPAC Name: 4-propan-2-yloxyaniline SMILES: CC(C)OC1=CC=C(C=C1)N
| PubChem CID | 82112 |
|---|---|
| CAS | 7664-66-6 |
| Molecular Weight (g/mol) | 151.209 |
| MDL Number | MFCD00059188 |
| SMILES | CC(C)OC1=CC=C(C=C1)N |
| IUPAC Name | 4-propan-2-yloxyaniline |
| InChI Key | MLNFMFAMNBGAQT-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO |
Pentafluorobenzaldehyde 96.0+%, TCI America™
CAS: 653-37-2 Molecular Formula: C7HF5O Molecular Weight (g/mol): 196.076 MDL Number: MFCD00003303 InChI Key: QJXCFMJTJYCLFG-UHFFFAOYSA-N Synonym: pentafluorobenzaldehyde,perfluorobenzaldehyde,benzaldehyde, pentafluoro,benzaldehyde, 2,3,4,5,6-pentafluoro,unii-s9yie3jz4k,pentafluor-benzaldehyd,s9yie3jz4k,pubchem4253,pentafluoro-benzaldehyde,acmc-209nqh PubChem CID: 69558 IUPAC Name: 2,3,4,5,6-pentafluorobenzaldehyde SMILES: C(=O)C1=C(C(=C(C(=C1F)F)F)F)F
| PubChem CID | 69558 |
|---|---|
| CAS | 653-37-2 |
| Molecular Weight (g/mol) | 196.076 |
| MDL Number | MFCD00003303 |
| SMILES | C(=O)C1=C(C(=C(C(=C1F)F)F)F)F |
| Synonym | pentafluorobenzaldehyde,perfluorobenzaldehyde,benzaldehyde, pentafluoro,benzaldehyde, 2,3,4,5,6-pentafluoro,unii-s9yie3jz4k,pentafluor-benzaldehyd,s9yie3jz4k,pubchem4253,pentafluoro-benzaldehyde,acmc-209nqh |
| IUPAC Name | 2,3,4,5,6-pentafluorobenzaldehyde |
| InChI Key | QJXCFMJTJYCLFG-UHFFFAOYSA-N |
| Molecular Formula | C7HF5O |
2-Chloro-5-(trifluoromethyl)phenyl Isocyanate 98.0+%, TCI America™
CAS: 50528-86-4 Molecular Formula: C8H3ClF3NO Molecular Weight (g/mol): 221.563 MDL Number: MFCD00037029 InChI Key: WEPYOPYMWSHRIW-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl phenyl isocyanate,1-chloro-2-isocyanato-4-trifluoromethyl benzene,isocyanic acid 2-chloro-5-trifluoromethyl phenyl ester,2-chloro-5-trifluoromethylphenyl isocyanate,2-chloro-5-trifluoromethyl phenylisocyanate,2-chloro-5-trifluoromethyl benzenisocyanate,pubchem5026,acmc-1aq1j,timtec-bb sbb006656,1-mercapto-2-methyl-propan-2-ol PubChem CID: 2733263 IUPAC Name: 1-chloro-2-isocyanato-4-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)N=C=O)Cl
| PubChem CID | 2733263 |
|---|---|
| CAS | 50528-86-4 |
| Molecular Weight (g/mol) | 221.563 |
| MDL Number | MFCD00037029 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N=C=O)Cl |
| Synonym | 2-chloro-5-trifluoromethyl phenyl isocyanate,1-chloro-2-isocyanato-4-trifluoromethyl benzene,isocyanic acid 2-chloro-5-trifluoromethyl phenyl ester,2-chloro-5-trifluoromethylphenyl isocyanate,2-chloro-5-trifluoromethyl phenylisocyanate,2-chloro-5-trifluoromethyl benzenisocyanate,pubchem5026,acmc-1aq1j,timtec-bb sbb006656,1-mercapto-2-methyl-propan-2-ol |
| IUPAC Name | 1-chloro-2-isocyanato-4-(trifluoromethyl)benzene |
| InChI Key | WEPYOPYMWSHRIW-UHFFFAOYSA-N |
| Molecular Formula | C8H3ClF3NO |
4-Fluorodiphenylamine 98.0+%, TCI America™
CAS: 330-83-6 Molecular Formula: C12H10FN Molecular Weight (g/mol): 187.217 MDL Number: MFCD01318538 InChI Key: RBWCFTJQRDTIBX-UHFFFAOYSA-N Synonym: N-(4-Fluorophenyl)aniline PubChem CID: 2774468 IUPAC Name: 4-fluoro-N-phenylaniline SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)F
| PubChem CID | 2774468 |
|---|---|
| CAS | 330-83-6 |
| Molecular Weight (g/mol) | 187.217 |
| MDL Number | MFCD01318538 |
| SMILES | C1=CC=C(C=C1)NC2=CC=C(C=C2)F |
| Synonym | N-(4-Fluorophenyl)aniline |
| IUPAC Name | 4-fluoro-N-phenylaniline |
| InChI Key | RBWCFTJQRDTIBX-UHFFFAOYSA-N |
| Molecular Formula | C12H10FN |
Methyl 3-Hydroxy-4-nitrobenzoate 98.0+%, TCI America™
CAS: 713-52-0 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00016997 InChI Key: UEGCRFNWTGYVKX-UHFFFAOYSA-N Synonym: benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate PubChem CID: 294866 IUPAC Name: methyl 3-hydroxy-4-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O
| PubChem CID | 294866 |
|---|---|
| CAS | 713-52-0 |
| Molecular Weight (g/mol) | 197.146 |
| MDL Number | MFCD00016997 |
| SMILES | COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O |
| Synonym | benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate |
| IUPAC Name | methyl 3-hydroxy-4-nitrobenzoate |
| InChI Key | UEGCRFNWTGYVKX-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
4-Ethylphenetole 97.0+%, TCI America™
CAS: 1585-06-4 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00191432 InChI Key: BQBROHBMIBOPFU-UHFFFAOYSA-N Synonym: 1-Ethoxy-4-ethylbenzene PubChem CID: 74107 IUPAC Name: 1-ethoxy-4-ethylbenzene SMILES: CCC1=CC=C(C=C1)OCC
| PubChem CID | 74107 |
|---|---|
| CAS | 1585-06-4 |
| Molecular Weight (g/mol) | 150.221 |
| MDL Number | MFCD00191432 |
| SMILES | CCC1=CC=C(C=C1)OCC |
| Synonym | 1-Ethoxy-4-ethylbenzene |
| IUPAC Name | 1-ethoxy-4-ethylbenzene |
| InChI Key | BQBROHBMIBOPFU-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
2,4-Dinitroaniline 99.0+%, TCI America™
CAS: 97-02-9 Molecular Formula: C6H5N3O4 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007151 InChI Key: LXQOQPGNCGEELI-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline PubChem CID: 7321 ChEBI: CHEBI:34242 IUPAC Name: 2,4-dinitroaniline SMILES: NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
| PubChem CID | 7321 |
|---|---|
| CAS | 97-02-9 |
| Molecular Weight (g/mol) | 183.12 |
| ChEBI | CHEBI:34242 |
| MDL Number | MFCD00007151 |
| SMILES | NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O |
| Synonym | benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline |
| IUPAC Name | 2,4-dinitroaniline |
| InChI Key | LXQOQPGNCGEELI-UHFFFAOYSA-N |
| Molecular Formula | C6H5N3O4 |
1,3-Dibenzyloxybenzene 96.0+%, TCI America™
CAS: 3769-42-4 Molecular Formula: C20H18O2 Molecular Weight (g/mol): 290.36 MDL Number: MFCD00690156 InChI Key: RESHZVQZWMQUMB-UHFFFAOYSA-N Synonym: 1,3-Bis(benzyloxy)benzene, Resorcinol Dibenzyl Ether PubChem CID: 1363616 IUPAC Name: 1,3-bis(benzyloxy)benzene SMILES: C(OC1=CC(OCC2=CC=CC=C2)=CC=C1)C1=CC=CC=C1
| PubChem CID | 1363616 |
|---|---|
| CAS | 3769-42-4 |
| Molecular Weight (g/mol) | 290.36 |
| MDL Number | MFCD00690156 |
| SMILES | C(OC1=CC(OCC2=CC=CC=C2)=CC=C1)C1=CC=CC=C1 |
| Synonym | 1,3-Bis(benzyloxy)benzene, Resorcinol Dibenzyl Ether |
| IUPAC Name | 1,3-bis(benzyloxy)benzene |
| InChI Key | RESHZVQZWMQUMB-UHFFFAOYSA-N |
| Molecular Formula | C20H18O2 |
4-(Chloromethyl)benzoyl Chloride 98.0+%, TCI America™
CAS: 876-08-4 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.035 MDL Number: MFCD00053224 InChI Key: RCOVTJVRTZGSBP-UHFFFAOYSA-N Synonym: 4-chloromethyl benzoyl chloride,benzoyl chloride, 4-chloromethyl,4-chloromethyl benzoylchloride,4-chloromethyl-benzoyl chloride,acmc-209qop,4-chlormethylbenzoylchloride,4-chloromethylbenzoylchloride,4-chlormethyl benzoylchlorid,p-chloromethylbenzoyl chloride PubChem CID: 70136 IUPAC Name: 4-(chloromethyl)benzoyl chloride SMILES: C1=CC(=CC=C1CCl)C(=O)Cl
| PubChem CID | 70136 |
|---|---|
| CAS | 876-08-4 |
| Molecular Weight (g/mol) | 189.035 |
| MDL Number | MFCD00053224 |
| SMILES | C1=CC(=CC=C1CCl)C(=O)Cl |
| Synonym | 4-chloromethyl benzoyl chloride,benzoyl chloride, 4-chloromethyl,4-chloromethyl benzoylchloride,4-chloromethyl-benzoyl chloride,acmc-209qop,4-chlormethylbenzoylchloride,4-chloromethylbenzoylchloride,4-chlormethyl benzoylchlorid,p-chloromethylbenzoyl chloride |
| IUPAC Name | 4-(chloromethyl)benzoyl chloride |
| InChI Key | RCOVTJVRTZGSBP-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |
alpha,alpha'-Bis(4-methylbenzyloxy)-p-xylene 98.0+%, TCI America™
CAS: 136861-46-6 Molecular Formula: C24H26O2 Molecular Weight (g/mol): 346.47 MDL Number: MFCD00143577 InChI Key: IJMQICMKIDWWAK-UHFFFAOYSA-N Synonym: p-Xylylene Glycol Bis(4-methylbenzyl) Ether PubChem CID: 21659525 IUPAC Name: 1,4-bis[(4-methylphenyl)methoxymethyl]benzene SMILES: CC1=CC=C(C=C1)COCC2=CC=C(C=C2)COCC3=CC=C(C=C3)C
| PubChem CID | 21659525 |
|---|---|
| CAS | 136861-46-6 |
| Molecular Weight (g/mol) | 346.47 |
| MDL Number | MFCD00143577 |
| SMILES | CC1=CC=C(C=C1)COCC2=CC=C(C=C2)COCC3=CC=C(C=C3)C |
| Synonym | p-Xylylene Glycol Bis(4-methylbenzyl) Ether |
| IUPAC Name | 1,4-bis[(4-methylphenyl)methoxymethyl]benzene |
| InChI Key | IJMQICMKIDWWAK-UHFFFAOYSA-N |
| Molecular Formula | C24H26O2 |
N-Methyl-p-anisidine 96.0+%, TCI America™
CAS: 5961-59-1 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00008399 InChI Key: JFXDIXYFXDOZIT-UHFFFAOYSA-N Synonym: n-methyl-p-anisidine,n-methyl-4-anisidine,n-methyl-4-methoxyaniline,benzenamine, 4-methoxy-n-methyl,n-methyl-p-ansidine,p-anisidine, n-methyl,4-methoxy-n-methylbenzenamine,1-methylamino-4-methoxybenzene,p-methoxy-n-methylaniline,acmc-209mes PubChem CID: 22250 IUPAC Name: 4-methoxy-N-methylaniline SMILES: CNC1=CC=C(C=C1)OC
| PubChem CID | 22250 |
|---|---|
| CAS | 5961-59-1 |
| Molecular Weight (g/mol) | 137.182 |
| MDL Number | MFCD00008399 |
| SMILES | CNC1=CC=C(C=C1)OC |
| Synonym | n-methyl-p-anisidine,n-methyl-4-anisidine,n-methyl-4-methoxyaniline,benzenamine, 4-methoxy-n-methyl,n-methyl-p-ansidine,p-anisidine, n-methyl,4-methoxy-n-methylbenzenamine,1-methylamino-4-methoxybenzene,p-methoxy-n-methylaniline,acmc-209mes |
| IUPAC Name | 4-methoxy-N-methylaniline |
| InChI Key | JFXDIXYFXDOZIT-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |