Benzene and substituted derivatives
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2,5-Dimethoxyphenylacetic Acid 98.0+%, TCI America™
CAS: 1758-25-4 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00004322 InChI Key: BBZDYQUXRFATHZ-UHFFFAOYSA-N Synonym: 2,5-dimethoxyphenylacetic acid,2-2,5-dimethoxyphenyl acetic acid,2,5-dimethoxyphenyl acetic acid,benzeneacetic acid, 2,5-dimethoxy,acetic acid, 2,5-dimethoxyphenyl,2,5-dimethoxyphenyl-acetic acid,acmc-209eai,2,5-dimethoxyphenyl,rarechem al bo 0334,2,5-dimethoxy-phenethyl acid PubChem CID: 74469 IUPAC Name: 2-(2,5-dimethoxyphenyl)acetic acid SMILES: COC1=CC(=C(C=C1)OC)CC(=O)O
| PubChem CID | 74469 |
|---|---|
| CAS | 1758-25-4 |
| Molecular Weight (g/mol) | 196.202 |
| MDL Number | MFCD00004322 |
| SMILES | COC1=CC(=C(C=C1)OC)CC(=O)O |
| Synonym | 2,5-dimethoxyphenylacetic acid,2-2,5-dimethoxyphenyl acetic acid,2,5-dimethoxyphenyl acetic acid,benzeneacetic acid, 2,5-dimethoxy,acetic acid, 2,5-dimethoxyphenyl,2,5-dimethoxyphenyl-acetic acid,acmc-209eai,2,5-dimethoxyphenyl,rarechem al bo 0334,2,5-dimethoxy-phenethyl acid |
| IUPAC Name | 2-(2,5-dimethoxyphenyl)acetic acid |
| InChI Key | BBZDYQUXRFATHZ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
3-Amino-4-chlorobenzoic Acid 98.0+%, TCI America™
CAS: 2840-28-0 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007671 InChI Key: DMGFVJVLVZOSOE-UHFFFAOYSA-N Synonym: benzoic acid, 3-amino-4-chloro,unii-3q8r4430cf,3-amino-4-chloro benzoic acid,3-amino-4-chloro-benzoic acid,4-chloro-3-amino benzoic acid,pubchem8988,acmc-1cmgg,5-carboxy-2-chloroaniline,dsstox_cid_24414,dsstox_rid_80213 PubChem CID: 76092 IUPAC Name: 3-amino-4-chlorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)N)Cl
| PubChem CID | 76092 |
|---|---|
| CAS | 2840-28-0 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00007671 |
| SMILES | C1=CC(=C(C=C1C(=O)O)N)Cl |
| Synonym | benzoic acid, 3-amino-4-chloro,unii-3q8r4430cf,3-amino-4-chloro benzoic acid,3-amino-4-chloro-benzoic acid,4-chloro-3-amino benzoic acid,pubchem8988,acmc-1cmgg,5-carboxy-2-chloroaniline,dsstox_cid_24414,dsstox_rid_80213 |
| IUPAC Name | 3-amino-4-chlorobenzoic acid |
| InChI Key | DMGFVJVLVZOSOE-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
| PubChem CID | 2734706 |
|---|---|
| CAS | 59016-93-2 |
| Molecular Weight (g/mol) | 151.956 |
| MDL Number | MFCD00792672 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| 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 |
| TSCA | No |
| IUPAC Name | [4-(hydroxymethyl)phenyl]boronic acid |
| InChI Key | PZRPBPMLSSNFOM-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO3 |
| Formula Weight | 151.96 |
2-Bromo-5-methoxybenzoic Acid 98.0+%, TCI America™
CAS: 22921-68-2 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.045 MDL Number: MFCD00020214 InChI Key: ODHJOROUCITYNF-UHFFFAOYSA-N Synonym: 6-bromo-m-anisic acid,2-bromo-5-methoxybenzoicacid,benzoic acid, 2-bromo-5-methoxy,5-methoxy-2-bromobenzoic acid,2-bromo-5-methoxy-benzoic acid,pubchem2674,acmc-1clk6,ksc205k0l,rarechem al be 1111,2-bromo-5-methoxy benzoic acid PubChem CID: 89906 IUPAC Name: 2-bromo-5-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1)Br)C(=O)O
| PubChem CID | 89906 |
|---|---|
| CAS | 22921-68-2 |
| Molecular Weight (g/mol) | 231.045 |
| MDL Number | MFCD00020214 |
| SMILES | COC1=CC(=C(C=C1)Br)C(=O)O |
| Synonym | 6-bromo-m-anisic acid,2-bromo-5-methoxybenzoicacid,benzoic acid, 2-bromo-5-methoxy,5-methoxy-2-bromobenzoic acid,2-bromo-5-methoxy-benzoic acid,pubchem2674,acmc-1clk6,ksc205k0l,rarechem al be 1111,2-bromo-5-methoxy benzoic acid |
| IUPAC Name | 2-bromo-5-methoxybenzoic acid |
| InChI Key | ODHJOROUCITYNF-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO3 |
2-Bromo-4-fluoroanisole 98.0+%, TCI America™
CAS: 452-08-4 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.03 MDL Number: MFCD00012014 InChI Key: JIQXVIJARQLCOY-UHFFFAOYSA-N Synonym: 2-bromo-4-fluoroanisole,benzene, 2-bromo-4-fluoro-1-methoxy,2-bromo-4-fluoro anisole,1-bromo-3-fluoro-6-methoxybenzene,2-bromo-4-fluoro-methoxybenzene,2-bromo-4-fluoro-1-methoxy-benzene,1-bromo-5-fluoro-2-methoxybenzene,attercop-chm at106665,pubchem1972,2-bromo-4-fluoroanisol PubChem CID: 136292 IUPAC Name: 2-bromo-4-fluoro-1-methoxybenzene SMILES: COC1=CC=C(F)C=C1Br
| PubChem CID | 136292 |
|---|---|
| CAS | 452-08-4 |
| Molecular Weight (g/mol) | 205.03 |
| MDL Number | MFCD00012014 |
| SMILES | COC1=CC=C(F)C=C1Br |
| Synonym | 2-bromo-4-fluoroanisole,benzene, 2-bromo-4-fluoro-1-methoxy,2-bromo-4-fluoro anisole,1-bromo-3-fluoro-6-methoxybenzene,2-bromo-4-fluoro-methoxybenzene,2-bromo-4-fluoro-1-methoxy-benzene,1-bromo-5-fluoro-2-methoxybenzene,attercop-chm at106665,pubchem1972,2-bromo-4-fluoroanisol |
| IUPAC Name | 2-bromo-4-fluoro-1-methoxybenzene |
| InChI Key | JIQXVIJARQLCOY-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrFO |
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 |
3,5-Bis(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 73852-19-4 Molecular Formula: C8H5BF6O2 Molecular Weight (g/mol): 257.93 MDL Number: MFCD00051850 InChI Key: BPTABBGLHGBJQR-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylboronic acid,3,5-bis trifluoromethyl benzeneboronic acid,3,5-bis trifluoromethyl phenyl boronic acid,3,5-bis-trifluoromethylphenylboronic acid,3,5-bis trifluoromethylphenyl boronic acid,3,5-bis trifluoromethyl phenylboroic acid,btfpba,3,5-bis trifluoromethyl phenyl boranediol PubChem CID: 156265 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 156265 |
|---|---|
| CAS | 73852-19-4 |
| Molecular Weight (g/mol) | 257.93 |
| MDL Number | MFCD00051850 |
| SMILES | OB(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl phenylboronic acid,3,5-bis trifluoromethyl benzeneboronic acid,3,5-bis trifluoromethyl phenyl boronic acid,3,5-bis-trifluoromethylphenylboronic acid,3,5-bis trifluoromethylphenyl boronic acid,3,5-bis trifluoromethyl phenylboroic acid,btfpba,3,5-bis trifluoromethyl phenyl boranediol |
| IUPAC Name | [3,5-bis(trifluoromethyl)phenyl]boronic acid |
| InChI Key | BPTABBGLHGBJQR-UHFFFAOYSA-N |
| Molecular Formula | C8H5BF6O2 |
2-Iodo-4-nitrotoluene 97.0+%, TCI America™
CAS: 7745-92-8 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.03 MDL Number: MFCD00024329 InChI Key: BUQSRXQJUZTIEW-UHFFFAOYSA-N Synonym: 2-iodo-4-nitrotoluene,benzene, 2-iodo-1-methyl-4-nitro,2-iodo-1-methyl-4-nitro-benzene,pubchem3957,acmc-209pa2,toluene, 2-iodo-4-nitro,timtec-bb sbb005821 PubChem CID: 82188 IUPAC Name: 2-iodo-1-methyl-4-nitrobenzene SMILES: CC1=CC=C(C=C1I)[N+]([O-])=O
| PubChem CID | 82188 |
|---|---|
| CAS | 7745-92-8 |
| Molecular Weight (g/mol) | 263.03 |
| MDL Number | MFCD00024329 |
| SMILES | CC1=CC=C(C=C1I)[N+]([O-])=O |
| Synonym | 2-iodo-4-nitrotoluene,benzene, 2-iodo-1-methyl-4-nitro,2-iodo-1-methyl-4-nitro-benzene,pubchem3957,acmc-209pa2,toluene, 2-iodo-4-nitro,timtec-bb sbb005821 |
| IUPAC Name | 2-iodo-1-methyl-4-nitrobenzene |
| InChI Key | BUQSRXQJUZTIEW-UHFFFAOYSA-N |
| Molecular Formula | C7H6INO2 |
3-Chloro-5-(trifluoromethyl)benzonitrile 98.0+%, TCI America™
CAS: 693245-52-2 Molecular Formula: C8H3ClF3N Molecular Weight (g/mol): 205.56 MDL Number: MFCD04115854 InChI Key: RLHYYDKFOQSWIB-UHFFFAOYSA-N Synonym: 3-chloro-5-trifluoromethyl benzonitrile,5-chloro-3-cyanobenzotrifluoride,3-chloro-5-trifluoromethyl-benzonitrile,3-chloro-5-cyanobenzotrifluoride,benzonitrile, 3-chloro-5-trifluoromethyl,5-chloro-3-cyano benzotrifluoride,pubchem16810,5-chloro-3-trifluoromethyl benzenecarbonitrile PubChem CID: 4584933 IUPAC Name: 3-chloro-5-(trifluoromethyl)benzonitrile SMILES: FC(F)(F)C1=CC(Cl)=CC(=C1)C#N
| PubChem CID | 4584933 |
|---|---|
| CAS | 693245-52-2 |
| Molecular Weight (g/mol) | 205.56 |
| MDL Number | MFCD04115854 |
| SMILES | FC(F)(F)C1=CC(Cl)=CC(=C1)C#N |
| Synonym | 3-chloro-5-trifluoromethyl benzonitrile,5-chloro-3-cyanobenzotrifluoride,3-chloro-5-trifluoromethyl-benzonitrile,3-chloro-5-cyanobenzotrifluoride,benzonitrile, 3-chloro-5-trifluoromethyl,5-chloro-3-cyano benzotrifluoride,pubchem16810,5-chloro-3-trifluoromethyl benzenecarbonitrile |
| IUPAC Name | 3-chloro-5-(trifluoromethyl)benzonitrile |
| InChI Key | RLHYYDKFOQSWIB-UHFFFAOYSA-N |
| Molecular Formula | C8H3ClF3N |
2-(Chloromethyl)benzoyl Chloride 98.0+%, TCI America™
CAS: 42908-86-1 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00152348 InChI Key: TXZFBHYDQGYOIT-UHFFFAOYSA-N PubChem CID: 3016395 IUPAC Name: 2-(chloromethyl)benzoyl chloride SMILES: ClCC1=CC=CC=C1C(Cl)=O
| PubChem CID | 3016395 |
|---|---|
| CAS | 42908-86-1 |
| Molecular Weight (g/mol) | 189.04 |
| MDL Number | MFCD00152348 |
| SMILES | ClCC1=CC=CC=C1C(Cl)=O |
| IUPAC Name | 2-(chloromethyl)benzoyl chloride |
| InChI Key | TXZFBHYDQGYOIT-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |
N-[4-Cyano-3-(trifluoromethyl)phenyl]methacrylamide 98.0+%, TCI America™
CAS: 90357-53-2 Molecular Formula: C12H9F3N2O Molecular Weight (g/mol): 254.212 MDL Number: MFCD03411609 InChI Key: HHWDZLSGDDXUSM-UHFFFAOYSA-N PubChem CID: 11149469 IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide SMILES: CC(=C)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
| PubChem CID | 11149469 |
|---|---|
| CAS | 90357-53-2 |
| Molecular Weight (g/mol) | 254.212 |
| MDL Number | MFCD03411609 |
| SMILES | CC(=C)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F |
| IUPAC Name | N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide |
| InChI Key | HHWDZLSGDDXUSM-UHFFFAOYSA-N |
| Molecular Formula | C12H9F3N2O |
4-Methoxy-3-nitrobiphenyl 99.0+%, TCI America™
CAS: 15854-73-6 Molecular Formula: C13H11NO3 Molecular Weight (g/mol): 229.24 MDL Number: MFCD00191554 InChI Key: HVYOIIIEAVPMCR-UHFFFAOYSA-N Synonym: 2-Nitro-4-phenylanisole PubChem CID: 615238 IUPAC Name: 4-methoxy-3-nitro-1,1'-biphenyl SMILES: COC1=C(C=C(C=C1)C1=CC=CC=C1)[N+]([O-])=O
| PubChem CID | 615238 |
|---|---|
| CAS | 15854-73-6 |
| Molecular Weight (g/mol) | 229.24 |
| MDL Number | MFCD00191554 |
| SMILES | COC1=C(C=C(C=C1)C1=CC=CC=C1)[N+]([O-])=O |
| Synonym | 2-Nitro-4-phenylanisole |
| IUPAC Name | 4-methoxy-3-nitro-1,1'-biphenyl |
| InChI Key | HVYOIIIEAVPMCR-UHFFFAOYSA-N |
| Molecular Formula | C13H11NO3 |
1-Bromo-2-isopropoxybenzene 97.0+%, TCI America™
CAS: 701-07-5 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 MDL Number: MFCD00070759 InChI Key: MMORVPBHAHXAHH-UHFFFAOYSA-N Synonym: 1-bromo-2-isopropoxybenzene,2-2'-bromophenoxy propane,1-bromo-2-propan-2-yloxy benzene,1-bromo-2-isopropoxy benzene,2-2-bromophenoxy propane,o-bromoisopropoxybenzene,2-bromoisopropoxybenzene,1-bromo-2-1-methylethoxy benzene,2-bromophenyl isopropyl ether,pubchem3828 PubChem CID: 21925427 IUPAC Name: 1-bromo-2-propan-2-yloxybenzene SMILES: CC(C)OC1=CC=CC=C1Br
| PubChem CID | 21925427 |
|---|---|
| CAS | 701-07-5 |
| Molecular Weight (g/mol) | 215.09 |
| MDL Number | MFCD00070759 |
| SMILES | CC(C)OC1=CC=CC=C1Br |
| Synonym | 1-bromo-2-isopropoxybenzene,2-2'-bromophenoxy propane,1-bromo-2-propan-2-yloxy benzene,1-bromo-2-isopropoxy benzene,2-2-bromophenoxy propane,o-bromoisopropoxybenzene,2-bromoisopropoxybenzene,1-bromo-2-1-methylethoxy benzene,2-bromophenyl isopropyl ether,pubchem3828 |
| IUPAC Name | 1-bromo-2-propan-2-yloxybenzene |
| InChI Key | MMORVPBHAHXAHH-UHFFFAOYSA-N |
| Molecular Formula | C9H11BrO |
3-(4-Bromophenyl)-1-propanol 98.0+%, TCI America™
CAS: 25574-11-2 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 MDL Number: MFCD09028724 InChI Key: WODKXGCVVOOEIJ-UHFFFAOYSA-N Synonym: 3-4-bromophenyl propan-1-ol,4-bromobenzenepropanol,3-4-bromo-phenyl-propan-1-ol,benzenepropanol, 4-bromo,3-4-bromophenyl-1-propanol,pubchem3984,3-4-bromophenyl propanol,3-4-bromophenyl-propanol,amth183,3-4-bromophenyl propyl alcohol PubChem CID: 10560614 IUPAC Name: 3-(4-bromophenyl)propan-1-ol SMILES: C1=CC(=CC=C1CCCO)Br
| PubChem CID | 10560614 |
|---|---|
| CAS | 25574-11-2 |
| Molecular Weight (g/mol) | 215.09 |
| MDL Number | MFCD09028724 |
| SMILES | C1=CC(=CC=C1CCCO)Br |
| Synonym | 3-4-bromophenyl propan-1-ol,4-bromobenzenepropanol,3-4-bromo-phenyl-propan-1-ol,benzenepropanol, 4-bromo,3-4-bromophenyl-1-propanol,pubchem3984,3-4-bromophenyl propanol,3-4-bromophenyl-propanol,amth183,3-4-bromophenyl propyl alcohol |
| IUPAC Name | 3-(4-bromophenyl)propan-1-ol |
| InChI Key | WODKXGCVVOOEIJ-UHFFFAOYSA-N |
| Molecular Formula | C9H11BrO |
4-Methoxybenzhydrol 98.0+%, TCI America™
CAS: 720-44-5 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.264 MDL Number: MFCD00014398 InChI Key: BEGZWXVLBIZFKQ-UHFFFAOYSA-N Synonym: 4-methoxybenzhydrol,4-methoxyphenyl phenyl methanol,4-methoxybenzhydryl alcohol,benzenemethanol, 4-methoxy-.alpha.-phenyl,4-methoxyphenyl phenylmethan-1-ol,4-methoxy-phenyl-phenyl-methanol,mamp-oh resin,4-methoxybenzohydrol,acmc-209olf,p-methoxybenzhydryl alcohol PubChem CID: 95375 IUPAC Name: (4-methoxyphenyl)-phenylmethanol SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)O
| PubChem CID | 95375 |
|---|---|
| CAS | 720-44-5 |
| Molecular Weight (g/mol) | 214.264 |
| MDL Number | MFCD00014398 |
| SMILES | COC1=CC=C(C=C1)C(C2=CC=CC=C2)O |
| Synonym | 4-methoxybenzhydrol,4-methoxyphenyl phenyl methanol,4-methoxybenzhydryl alcohol,benzenemethanol, 4-methoxy-.alpha.-phenyl,4-methoxyphenyl phenylmethan-1-ol,4-methoxy-phenyl-phenyl-methanol,mamp-oh resin,4-methoxybenzohydrol,acmc-209olf,p-methoxybenzhydryl alcohol |
| IUPAC Name | (4-methoxyphenyl)-phenylmethanol |
| InChI Key | BEGZWXVLBIZFKQ-UHFFFAOYSA-N |
| Molecular Formula | C14H14O2 |