Benzene and substituted derivatives
Filtered Search Results
2,5-Difluorobenzylamine 98.0+%, TCI America™
CAS: 85118-06-5 Molecular Formula: C7H7F2N Molecular Weight (g/mol): 143.14 MDL Number: MFCD00010143 InChI Key: GDFBHCMFIUBEQT-UHFFFAOYSA-N Synonym: 2,5-difluorobenzylamine,2,5-difluorophenyl methanamine,benzenemethanamine, 2,5-difluoro,2,5-difluorobenzyl amine,1-2,5-difluorophenyl methanamine,2, 5-difluorobenzylamine,2,5-difluorophenyl methylamine,pubchem4401,2,5-difluoro-benzylamine,acmc-209q4p PubChem CID: 123589 IUPAC Name: 1-(2,5-difluorophenyl)methanamine SMILES: NCC1=CC(F)=CC=C1F
| PubChem CID | 123589 |
|---|---|
| CAS | 85118-06-5 |
| Molecular Weight (g/mol) | 143.14 |
| MDL Number | MFCD00010143 |
| SMILES | NCC1=CC(F)=CC=C1F |
| Synonym | 2,5-difluorobenzylamine,2,5-difluorophenyl methanamine,benzenemethanamine, 2,5-difluoro,2,5-difluorobenzyl amine,1-2,5-difluorophenyl methanamine,2, 5-difluorobenzylamine,2,5-difluorophenyl methylamine,pubchem4401,2,5-difluoro-benzylamine,acmc-209q4p |
| IUPAC Name | 1-(2,5-difluorophenyl)methanamine |
| InChI Key | GDFBHCMFIUBEQT-UHFFFAOYSA-N |
| Molecular Formula | C7H7F2N |
2-Fluorobenzoic Acid 98.0+%, TCI America™
CAS: 445-29-4 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.113 MDL Number: MFCD00002405 InChI Key: NSTREUWFTAOOKS-UHFFFAOYSA-N Synonym: o-fluorobenzoic acid,benzoic acid, 2-fluoro,ortho-fluorobenzoic acid,o-fluorbenzoesaeure,benzoic acid, o-fluoro,fluorobenzoic acid,unii-64uz32koo4,o-fluorbenzoesaeure german,ofba,2-fluoro-benzoic acid PubChem CID: 9935 ChEBI: CHEBI:19577 IUPAC Name: 2-fluorobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)F
| PubChem CID | 9935 |
|---|---|
| CAS | 445-29-4 |
| Molecular Weight (g/mol) | 140.113 |
| ChEBI | CHEBI:19577 |
| MDL Number | MFCD00002405 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)F |
| Synonym | o-fluorobenzoic acid,benzoic acid, 2-fluoro,ortho-fluorobenzoic acid,o-fluorbenzoesaeure,benzoic acid, o-fluoro,fluorobenzoic acid,unii-64uz32koo4,o-fluorbenzoesaeure german,ofba,2-fluoro-benzoic acid |
| IUPAC Name | 2-fluorobenzoic acid |
| InChI Key | NSTREUWFTAOOKS-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
3-Aminophthalic Acid 95.0+%, TCI America™
CAS: 5434-20-8 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 InChI Key: WGLQHUKCXBXUDV-UHFFFAOYSA-N Synonym: 3-amino-1,2-benzenedicarboxylic acid,phthalic acid, 3-amino,3-aminophthalicacid,1,2-benzenedicarboxylic acid, 3-amino,3-amino-phthalic acid,unii-7xv0v19zdg,3-aminobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, amino,7xv0v19zdg,aminophthalic acid PubChem CID: 79490 IUPAC Name: 3-aminophthalic acid SMILES: C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O
| PubChem CID | 79490 |
|---|---|
| CAS | 5434-20-8 |
| Molecular Weight (g/mol) | 181.147 |
| SMILES | C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O |
| Synonym | 3-amino-1,2-benzenedicarboxylic acid,phthalic acid, 3-amino,3-aminophthalicacid,1,2-benzenedicarboxylic acid, 3-amino,3-amino-phthalic acid,unii-7xv0v19zdg,3-aminobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, amino,7xv0v19zdg,aminophthalic acid |
| IUPAC Name | 3-aminophthalic acid |
| InChI Key | WGLQHUKCXBXUDV-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
Methyl 5-Iodosalicylate 98.0+%, TCI America™
CAS: 4068-75-1 Molecular Formula: C8H7IO3 Molecular Weight (g/mol): 278.045 MDL Number: MFCD00016462 InChI Key: NRSWJTRJHPRZMH-UHFFFAOYSA-N Synonym: methyl 5-iodosalicylate,5-iodosalicylic acid methyl ester,2-hydroxy-5-iodobenzoic acid methyl ester,benzoic acid, 2-hydroxy-5-iodo-, methyl ester,methyl 2-hydroxy-5-iodobenzenecarboxylate,salicylic acid, 5-iodo-, methyl ester,methyl5-iodosalicylate,methyl-5-iodosalicylate,acmc-209jg0,methyl2-hydroxy-5-iodobenzoate PubChem CID: 248910 IUPAC Name: methyl 2-hydroxy-5-iodobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)I)O
| PubChem CID | 248910 |
|---|---|
| CAS | 4068-75-1 |
| Molecular Weight (g/mol) | 278.045 |
| MDL Number | MFCD00016462 |
| SMILES | COC(=O)C1=C(C=CC(=C1)I)O |
| Synonym | methyl 5-iodosalicylate,5-iodosalicylic acid methyl ester,2-hydroxy-5-iodobenzoic acid methyl ester,benzoic acid, 2-hydroxy-5-iodo-, methyl ester,methyl 2-hydroxy-5-iodobenzenecarboxylate,salicylic acid, 5-iodo-, methyl ester,methyl5-iodosalicylate,methyl-5-iodosalicylate,acmc-209jg0,methyl2-hydroxy-5-iodobenzoate |
| IUPAC Name | methyl 2-hydroxy-5-iodobenzoate |
| InChI Key | NRSWJTRJHPRZMH-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO3 |
| PubChem CID | 3723812 |
|---|---|
| CAS | 279262-11-2 |
| Molecular Weight (g/mol) | 165.983 |
| MDL Number | MFCD03788426 |
| Color | White |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC=C(C=C1)COC)(O)O |
| TSCA | No |
| IUPAC Name | [4-(methoxymethyl)phenyl]boronic acid |
| InChI Key | VTNVZXAYRMTKON-UHFFFAOYSA-N |
| Molecular Formula | C8H11BO3 |
| Formula Weight | 165.98 |
4-(trans-4-Amylcyclohexyl)phenol 98.0+%, TCI America™
CAS: 82575-69-7 Molecular Formula: C17H26O Molecular Weight (g/mol): 246.39 MDL Number: MFCD00673750 InChI Key: QRAZRBGYBYIGRL-UHFFFAOYSA-N Synonym: 1-(trans-4-Amylcyclohexyl)-4-hydroxybenzene, 4-(trans-4-Pentylcyclohexyl)phenol, 1-(trans-4-Pentylcyclohexyl)-4-hydroxybenzene PubChem CID: 4593765 IUPAC Name: 4-(4-pentylcyclohexyl)phenol SMILES: CCCCCC1CCC(CC1)C1=CC=C(O)C=C1
| PubChem CID | 4593765 |
|---|---|
| CAS | 82575-69-7 |
| Molecular Weight (g/mol) | 246.39 |
| MDL Number | MFCD00673750 |
| SMILES | CCCCCC1CCC(CC1)C1=CC=C(O)C=C1 |
| Synonym | 1-(trans-4-Amylcyclohexyl)-4-hydroxybenzene, 4-(trans-4-Pentylcyclohexyl)phenol, 1-(trans-4-Pentylcyclohexyl)-4-hydroxybenzene |
| IUPAC Name | 4-(4-pentylcyclohexyl)phenol |
| InChI Key | QRAZRBGYBYIGRL-UHFFFAOYSA-N |
| Molecular Formula | C17H26O |
3-Bromo-5-fluorobenzotrifluoride 98.0+%, TCI America™
CAS: 130723-13-6 Molecular Formula: C7H3BrF4 Molecular Weight (g/mol): 242.999 MDL Number: MFCD00042498 InChI Key: LIGBGEJPUQBLTG-UHFFFAOYSA-N Synonym: 3-bromo-5-fluorobenzotrifluoride,1-bromo-3-fluoro-5-trifluoromethyl benzene,3-bromo-5-fluorotrifluoromethylbenzene,3-fluoro-5-trifluoromethyl bromobenzene,5-fluoro-3-bromobenzotrifluoride,3-fluoro-5-trifluoromethylbromobenzene,3-bromo-alpha,alpha,alpha,5-tetrafluorotoluene,3-bromo-5-fluoro-trifluoromethylbenzene,benzene, 1-bromo-3-fluoro-5-trifluoromethyl PubChem CID: 2736323 IUPAC Name: 1-bromo-3-fluoro-5-(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1F)Br)C(F)(F)F
| PubChem CID | 2736323 |
|---|---|
| CAS | 130723-13-6 |
| Molecular Weight (g/mol) | 242.999 |
| MDL Number | MFCD00042498 |
| SMILES | C1=C(C=C(C=C1F)Br)C(F)(F)F |
| Synonym | 3-bromo-5-fluorobenzotrifluoride,1-bromo-3-fluoro-5-trifluoromethyl benzene,3-bromo-5-fluorotrifluoromethylbenzene,3-fluoro-5-trifluoromethyl bromobenzene,5-fluoro-3-bromobenzotrifluoride,3-fluoro-5-trifluoromethylbromobenzene,3-bromo-alpha,alpha,alpha,5-tetrafluorotoluene,3-bromo-5-fluoro-trifluoromethylbenzene,benzene, 1-bromo-3-fluoro-5-trifluoromethyl |
| IUPAC Name | 1-bromo-3-fluoro-5-(trifluoromethyl)benzene |
| InChI Key | LIGBGEJPUQBLTG-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF4 |
3,4-Diaminobenzophenone 98.0+%, TCI America™
CAS: 39070-63-8 Molecular Formula: C13H12N2O Molecular Weight (g/mol): 212.252 MDL Number: MFCD00007727 InChI Key: RXCOGDYOZQGGMK-UHFFFAOYSA-N Synonym: 3,4-diaminobenzophenone,3,4-diaminophenyl phenyl methanone,3,4-diaminophenyl phenylmethanone,4-benzoylbenzene-1,2-diamine,2-amino-4-benzoylaniline,4-benzoyl-o-phenylenediamine,3,4-diaminophenyl phenyl ketone,3,4-diaminophenyl-phenylmethanone,methanone, 3,4-diaminophenyl phenyl,pubchem3382 PubChem CID: 135520 IUPAC Name: (3,4-diaminophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)N
| PubChem CID | 135520 |
|---|---|
| CAS | 39070-63-8 |
| Molecular Weight (g/mol) | 212.252 |
| MDL Number | MFCD00007727 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)N |
| Synonym | 3,4-diaminobenzophenone,3,4-diaminophenyl phenyl methanone,3,4-diaminophenyl phenylmethanone,4-benzoylbenzene-1,2-diamine,2-amino-4-benzoylaniline,4-benzoyl-o-phenylenediamine,3,4-diaminophenyl phenyl ketone,3,4-diaminophenyl-phenylmethanone,methanone, 3,4-diaminophenyl phenyl,pubchem3382 |
| IUPAC Name | (3,4-diaminophenyl)-phenylmethanone |
| InChI Key | RXCOGDYOZQGGMK-UHFFFAOYSA-N |
| Molecular Formula | C13H12N2O |
(R)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl Chloride 99.0+%, TCI America™
CAS: 39637-99-5 Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.62 MDL Number: MFCD00044400 InChI Key: PAORVUMOXXAMPL-VIFPVBQESA-N Synonym: unii-81ut10uhv3,r---mtpa-cl,--alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,r---a-methoxy-a-trifluoromethylphenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,--mtpa-cl,--mosher's acid chloride PubChem CID: 3080792 IUPAC Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F
| PubChem CID | 3080792 |
|---|---|
| CAS | 39637-99-5 |
| Molecular Weight (g/mol) | 252.62 |
| MDL Number | MFCD00044400 |
| SMILES | CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F |
| Synonym | unii-81ut10uhv3,r---mtpa-cl,--alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,r---a-methoxy-a-trifluoromethylphenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,--mtpa-cl,--mosher's acid chloride |
| IUPAC Name | (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride |
| InChI Key | PAORVUMOXXAMPL-VIFPVBQESA-N |
| Molecular Formula | C10H8ClF3O2 |
Methyl 2,4-Dichlorobenzoate 98.0+%, TCI America™
CAS: 35112-28-8 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.034 MDL Number: MFCD00085117 InChI Key: VCRWILYAWSRHBN-UHFFFAOYSA-N Synonym: methyl2,4-dichlorobenzoate,2,4-dichlorobenzoic acid methyl ester,benzoic acid, 2,4-dichloro-, methyl ester,methyl-2,4-dichlorobenzoate,pubchem3713,methyl ester of 2,4-dichlorobenzoic acid,acmc-209id8,ksc497m5b,methyl 2,4-dichloro benzoate PubChem CID: 37055 IUPAC Name: methyl 2,4-dichlorobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)Cl)Cl
| PubChem CID | 37055 |
|---|---|
| CAS | 35112-28-8 |
| Molecular Weight (g/mol) | 205.034 |
| MDL Number | MFCD00085117 |
| SMILES | COC(=O)C1=C(C=C(C=C1)Cl)Cl |
| Synonym | methyl2,4-dichlorobenzoate,2,4-dichlorobenzoic acid methyl ester,benzoic acid, 2,4-dichloro-, methyl ester,methyl-2,4-dichlorobenzoate,pubchem3713,methyl ester of 2,4-dichlorobenzoic acid,acmc-209id8,ksc497m5b,methyl 2,4-dichloro benzoate |
| IUPAC Name | methyl 2,4-dichlorobenzoate |
| InChI Key | VCRWILYAWSRHBN-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O2 |
3-Iodophenylsulfur Pentafluoride 93.0+%, TCI America™
CAS: 286947-67-9 Molecular Formula: C6H4F5IS Molecular Weight (g/mol): 330.05 MDL Number: MFCD03788513 InChI Key: OPPXUPGOUVHFHM-UHFFFAOYSA-N PubChem CID: 2779197 IUPAC Name: 1-iodo-3-(pentafluoro-λ⁶-sulfanyl)benzene SMILES: FS(F)(F)(F)(F)C1=CC(I)=CC=C1
| PubChem CID | 2779197 |
|---|---|
| CAS | 286947-67-9 |
| Molecular Weight (g/mol) | 330.05 |
| MDL Number | MFCD03788513 |
| SMILES | FS(F)(F)(F)(F)C1=CC(I)=CC=C1 |
| IUPAC Name | 1-iodo-3-(pentafluoro-λ⁶-sulfanyl)benzene |
| InChI Key | OPPXUPGOUVHFHM-UHFFFAOYSA-N |
| Molecular Formula | C6H4F5IS |
2,4-Dimethoxybenzylamine 98.0+%, TCI America™
CAS: 20781-20-8 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.208 MDL Number: MFCD00052393 InChI Key: QOWBXWFYRXSBAS-UHFFFAOYSA-N Synonym: 2,4-dimethoxybenzylamine,2,4-dimethoxyphenyl methanamine,2,4-dimethoxy benzylamine,1-2,4-dimethoxyphenyl methanamine,benzenemethanamine, 2,4-dimethoxy,2,4-dimethoxybenzyl amine,2,4-dimethoxyphenyl methylamine,2, 4-dimethoxybenzylamine,pubchem7398,2,4dimethoxybenzylamine PubChem CID: 597250 IUPAC Name: (2,4-dimethoxyphenyl)methanamine SMILES: COC1=CC(=C(C=C1)CN)OC
| PubChem CID | 597250 |
|---|---|
| CAS | 20781-20-8 |
| Molecular Weight (g/mol) | 167.208 |
| MDL Number | MFCD00052393 |
| SMILES | COC1=CC(=C(C=C1)CN)OC |
| Synonym | 2,4-dimethoxybenzylamine,2,4-dimethoxyphenyl methanamine,2,4-dimethoxy benzylamine,1-2,4-dimethoxyphenyl methanamine,benzenemethanamine, 2,4-dimethoxy,2,4-dimethoxybenzyl amine,2,4-dimethoxyphenyl methylamine,2, 4-dimethoxybenzylamine,pubchem7398,2,4dimethoxybenzylamine |
| IUPAC Name | (2,4-dimethoxyphenyl)methanamine |
| InChI Key | QOWBXWFYRXSBAS-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO2 |
4-Bromo-2-methylbenzonitrile 98.0+%, TCI America™
CAS: 67832-11-5 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD00041461 InChI Key: LPEBMDFRIKYFCF-UHFFFAOYSA-N Synonym: benzonitrile, 4-bromo-2-methyl,5-bromo-2-cyanotoluene,4-bromo-2-methyl-benzonitrile,2-methyl-4-bromo benzonitrile,2-methyl-4-bromobenzonitrile,4-bromo-2-methylbenzene carbonitrile,4-bromo-2-methylbenzenecarbonitrile,pubchem4721,4-bromo-methylbenzonitrile,4bromo-2-methylbenzonitrile PubChem CID: 144267 IUPAC Name: 4-bromo-2-methylbenzonitrile SMILES: CC1=CC(Br)=CC=C1C#N
| PubChem CID | 144267 |
|---|---|
| CAS | 67832-11-5 |
| Molecular Weight (g/mol) | 196.05 |
| MDL Number | MFCD00041461 |
| SMILES | CC1=CC(Br)=CC=C1C#N |
| Synonym | benzonitrile, 4-bromo-2-methyl,5-bromo-2-cyanotoluene,4-bromo-2-methyl-benzonitrile,2-methyl-4-bromo benzonitrile,2-methyl-4-bromobenzonitrile,4-bromo-2-methylbenzene carbonitrile,4-bromo-2-methylbenzenecarbonitrile,pubchem4721,4-bromo-methylbenzonitrile,4bromo-2-methylbenzonitrile |
| IUPAC Name | 4-bromo-2-methylbenzonitrile |
| InChI Key | LPEBMDFRIKYFCF-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrN |
o-Xylyl Cyanide 98.0+%, TCI America™
CAS: 22364-68-7 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.178 MDL Number: MFCD00001904 InChI Key: WMGVPDQNPUQRND-UHFFFAOYSA-N Synonym: 2-methylbenzyl cyanide,2-o-tolyl acetonitrile,o-tolylacetonitrile,2-methylphenylacetonitrile,o-methylphenylacetonitrile,o-xylyl cyanide,o-methylbenzyl cyanide,acetonitrile, o-tolyl,benzeneacetonitrile, 2-methyl,2-2-methylphenyl acetonitrile PubChem CID: 31155 ChEBI: CHEBI:27982 IUPAC Name: 2-(2-methylphenyl)acetonitrile SMILES: CC1=CC=CC=C1CC#N
| PubChem CID | 31155 |
|---|---|
| CAS | 22364-68-7 |
| Molecular Weight (g/mol) | 131.178 |
| ChEBI | CHEBI:27982 |
| MDL Number | MFCD00001904 |
| SMILES | CC1=CC=CC=C1CC#N |
| Synonym | 2-methylbenzyl cyanide,2-o-tolyl acetonitrile,o-tolylacetonitrile,2-methylphenylacetonitrile,o-methylphenylacetonitrile,o-xylyl cyanide,o-methylbenzyl cyanide,acetonitrile, o-tolyl,benzeneacetonitrile, 2-methyl,2-2-methylphenyl acetonitrile |
| IUPAC Name | 2-(2-methylphenyl)acetonitrile |
| InChI Key | WMGVPDQNPUQRND-UHFFFAOYSA-N |
| Molecular Formula | C9H9N |
trans,trans-4'-Pentyl-4-(3,4,5-trifluorophenyl)bicyclohexyl 98.0+%, TCI America™
CAS: 137644-54-3 Molecular Formula: C23H33F3 Molecular Weight (g/mol): 366.512 MDL Number: MFCD17019208 InChI Key: TXHFUCYJBLLNIG-UHFFFAOYSA-N Synonym: trans,trans-4′C-Amyl-4-(3,4,5-trifluorophenyl)bicyclohexyl PubChem CID: 14984829 IUPAC Name: 1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene SMILES: CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
| PubChem CID | 14984829 |
|---|---|
| CAS | 137644-54-3 |
| Molecular Weight (g/mol) | 366.512 |
| MDL Number | MFCD17019208 |
| SMILES | CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)F)F |
| Synonym | trans,trans-4′C-Amyl-4-(3,4,5-trifluorophenyl)bicyclohexyl |
| IUPAC Name | 1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene |
| InChI Key | TXHFUCYJBLLNIG-UHFFFAOYSA-N |
| Molecular Formula | C23H33F3 |