Benzene and substituted derivatives
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2,3,5,6-Tetrafluorobenzaldehyde 94.0+%, TCI America™
CAS: 19842-76-3 Molecular Formula: C7H2F4O Molecular Weight (g/mol): 178.086 MDL Number: MFCD00167387 InChI Key: YIRYOMXPMOLQSO-UHFFFAOYSA-N Synonym: benzaldehyde,2,3,5,6-tetrafluoro,2,3,5,6-tetrafluoro-benzaldehyde,pubchem10080,1,2,4,5-tetrafluorobenzaldehyde,2,3,5,6-tetrafluorobenzaldehyde,benzaldehyde, 2,3,5,6-tetrafluoro,2,3,5,6-tetrakis fluoranyl benzaldehyde PubChem CID: 601331 IUPAC Name: 2,3,5,6-tetrafluorobenzaldehyde SMILES: C1=C(C(=C(C(=C1F)F)C=O)F)F
| PubChem CID | 601331 |
|---|---|
| CAS | 19842-76-3 |
| Molecular Weight (g/mol) | 178.086 |
| MDL Number | MFCD00167387 |
| SMILES | C1=C(C(=C(C(=C1F)F)C=O)F)F |
| Synonym | benzaldehyde,2,3,5,6-tetrafluoro,2,3,5,6-tetrafluoro-benzaldehyde,pubchem10080,1,2,4,5-tetrafluorobenzaldehyde,2,3,5,6-tetrafluorobenzaldehyde,benzaldehyde, 2,3,5,6-tetrafluoro,2,3,5,6-tetrakis fluoranyl benzaldehyde |
| IUPAC Name | 2,3,5,6-tetrafluorobenzaldehyde |
| InChI Key | YIRYOMXPMOLQSO-UHFFFAOYSA-N |
| Molecular Formula | C7H2F4O |
4-Chlorobenzophenone 98.0+%, TCI America™
CAS: 134-85-0 Molecular Formula: C13H9ClO Molecular Weight (g/mol): 216.664 MDL Number: MFCD00000622 InChI Key: UGVRJVHOJNYEHR-UHFFFAOYSA-N Synonym: 4-chlorobenzophenone,4-chlorophenyl phenyl methanone,p-chlorobenzophenone,methanone, 4-chlorophenyl phenyl,benzophenone, 4-chloro,p-cbp,unii-wih1iz728u,4-chloro benzophenone,4-chlorophenyl-phenylmethanone,wih1iz728u PubChem CID: 8653 IUPAC Name: (4-chlorophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
| PubChem CID | 8653 |
|---|---|
| CAS | 134-85-0 |
| Molecular Weight (g/mol) | 216.664 |
| MDL Number | MFCD00000622 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl |
| Synonym | 4-chlorobenzophenone,4-chlorophenyl phenyl methanone,p-chlorobenzophenone,methanone, 4-chlorophenyl phenyl,benzophenone, 4-chloro,p-cbp,unii-wih1iz728u,4-chloro benzophenone,4-chlorophenyl-phenylmethanone,wih1iz728u |
| IUPAC Name | (4-chlorophenyl)-phenylmethanone |
| InChI Key | UGVRJVHOJNYEHR-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClO |
1,2,4-Tribromobenzene 95.0+%, TCI America™
CAS: 615-54-3 Molecular Formula: C6H3Br3 Molecular Weight (g/mol): 314.802 MDL Number: MFCD00000062 InChI Key: FWAJPSIPOULHHH-UHFFFAOYSA-N PubChem CID: 12002 IUPAC Name: 1,2,4-tribromobenzene SMILES: C1=CC(=C(C=C1Br)Br)Br
| PubChem CID | 12002 |
|---|---|
| CAS | 615-54-3 |
| Molecular Weight (g/mol) | 314.802 |
| MDL Number | MFCD00000062 |
| SMILES | C1=CC(=C(C=C1Br)Br)Br |
| IUPAC Name | 1,2,4-tribromobenzene |
| InChI Key | FWAJPSIPOULHHH-UHFFFAOYSA-N |
| Molecular Formula | C6H3Br3 |
2-(4-Fluorophenyl)ethyl Chloride 97.0+%, TCI America™
CAS: 332-43-4 Molecular Formula: C8H8ClF Molecular Weight (g/mol): 158.60 MDL Number: MFCD00155000 InChI Key: LPUURRVXQCVXCX-UHFFFAOYSA-N Synonym: 1-2-chloroethyl-4-fluorobenzene,4-fluorophenethyl chloride,2-4-fluorophenyl ethyl chloride,1-2'-chloroethyl-4-fluorobenzene,1-2-chloro-ethyl-4-fluoro-benzene,benzene, 1-2-chloroethyl-4-fluoro,acmc-1anql,4-fluorophenetyl chloride,ksc570e7d,1-fluoro-4-2-chloroethyl benzene PubChem CID: 67622 IUPAC Name: 1-(2-chloroethyl)-4-fluorobenzene SMILES: FC1=CC=C(CCCl)C=C1
| PubChem CID | 67622 |
|---|---|
| CAS | 332-43-4 |
| Molecular Weight (g/mol) | 158.60 |
| MDL Number | MFCD00155000 |
| SMILES | FC1=CC=C(CCCl)C=C1 |
| Synonym | 1-2-chloroethyl-4-fluorobenzene,4-fluorophenethyl chloride,2-4-fluorophenyl ethyl chloride,1-2'-chloroethyl-4-fluorobenzene,1-2-chloro-ethyl-4-fluoro-benzene,benzene, 1-2-chloroethyl-4-fluoro,acmc-1anql,4-fluorophenetyl chloride,ksc570e7d,1-fluoro-4-2-chloroethyl benzene |
| IUPAC Name | 1-(2-chloroethyl)-4-fluorobenzene |
| InChI Key | LPUURRVXQCVXCX-UHFFFAOYSA-N |
| Molecular Formula | C8H8ClF |
2-Nitrobenzyl Chloride 98.0+%, TCI America™
CAS: 612-23-7 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007185 InChI Key: BXCBUWKTXLWPSB-UHFFFAOYSA-N Synonym: 2-nitrobenzyl chloride,1-chloromethyl-2-nitrobenzene,o-nitrobenzyl chloride,alpha-chloro-2-nitrotoluene,benzene, 1-chloromethyl-2-nitro,2-nitrobenzylchloride,unii-hb8u484npm,alpha-chloro-o-nitrotoluene,ccris 2323,toluene, alpha-chloro-o-nitro PubChem CID: 11921 IUPAC Name: 1-(chloromethyl)-2-nitrobenzene SMILES: C1=CC=C(C(=C1)CCl)[N+](=O)[O-]
| PubChem CID | 11921 |
|---|---|
| CAS | 612-23-7 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00007185 |
| SMILES | C1=CC=C(C(=C1)CCl)[N+](=O)[O-] |
| Synonym | 2-nitrobenzyl chloride,1-chloromethyl-2-nitrobenzene,o-nitrobenzyl chloride,alpha-chloro-2-nitrotoluene,benzene, 1-chloromethyl-2-nitro,2-nitrobenzylchloride,unii-hb8u484npm,alpha-chloro-o-nitrotoluene,ccris 2323,toluene, alpha-chloro-o-nitro |
| IUPAC Name | 1-(chloromethyl)-2-nitrobenzene |
| InChI Key | BXCBUWKTXLWPSB-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
n-Octyl 4-Hydroxybenzoate 98.0+%, TCI America™
CAS: 1219-38-1 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 MDL Number: MFCD00016482 InChI Key: RIKCMEDSBFQFAL-UHFFFAOYSA-N Synonym: octylparaben,n-octyl 4-hydroxybenzoate,octyl paraben,octyl p-hydroxybenzoate,p-hydroxybenzoic acid octyl ester,benzoic acid, 4-hydroxy-, octyl ester,p-oxybenzoesaureoctylester,4-hydroxybenzoic acid n-octyl ester,unii-4uvk431k6b,p-oxybenzoesaureoctylester german PubChem CID: 14642 IUPAC Name: octyl 4-hydroxybenzoate SMILES: CCCCCCCCOC(=O)C1=CC=C(O)C=C1
| PubChem CID | 14642 |
|---|---|
| CAS | 1219-38-1 |
| Molecular Weight (g/mol) | 250.34 |
| MDL Number | MFCD00016482 |
| SMILES | CCCCCCCCOC(=O)C1=CC=C(O)C=C1 |
| Synonym | octylparaben,n-octyl 4-hydroxybenzoate,octyl paraben,octyl p-hydroxybenzoate,p-hydroxybenzoic acid octyl ester,benzoic acid, 4-hydroxy-, octyl ester,p-oxybenzoesaureoctylester,4-hydroxybenzoic acid n-octyl ester,unii-4uvk431k6b,p-oxybenzoesaureoctylester german |
| IUPAC Name | octyl 4-hydroxybenzoate |
| InChI Key | RIKCMEDSBFQFAL-UHFFFAOYSA-N |
| Molecular Formula | C15H22O3 |
p-Toluamide 98.0+%, TCI America™
CAS: 619-55-6 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00008002 InChI Key: UHBGYFCCKRAEHA-UHFFFAOYSA-N Synonym: p-toluamide,benzamide, 4-methyl,p-methylbenzamide,4-methyl-benzamide,4-toluamide,4-carbamoyltoluene,unii-n0v326v2f5,tolylsaureamid,n-toluamide,p-tolylamide PubChem CID: 69274 IUPAC Name: 4-methylbenzamide SMILES: CC1=CC=C(C=C1)C(N)=O
| PubChem CID | 69274 |
|---|---|
| CAS | 619-55-6 |
| Molecular Weight (g/mol) | 135.17 |
| MDL Number | MFCD00008002 |
| SMILES | CC1=CC=C(C=C1)C(N)=O |
| Synonym | p-toluamide,benzamide, 4-methyl,p-methylbenzamide,4-methyl-benzamide,4-toluamide,4-carbamoyltoluene,unii-n0v326v2f5,tolylsaureamid,n-toluamide,p-tolylamide |
| IUPAC Name | 4-methylbenzamide |
| InChI Key | UHBGYFCCKRAEHA-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
6-tert-Butyl-o-cresol 99.0+%, TCI America™
CAS: 2219-82-1 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.25 MDL Number: MFCD00002239 InChI Key: BKZXZGWHTRCFPX-UHFFFAOYSA-N Synonym: 2-tert-Butyl-6-methylphenol PubChem CID: 16678 IUPAC Name: 2-tert-butyl-6-methylphenol SMILES: CC1=CC=CC(=C1O)C(C)(C)C
| PubChem CID | 16678 |
|---|---|
| CAS | 2219-82-1 |
| Molecular Weight (g/mol) | 164.25 |
| MDL Number | MFCD00002239 |
| SMILES | CC1=CC=CC(=C1O)C(C)(C)C |
| Synonym | 2-tert-Butyl-6-methylphenol |
| IUPAC Name | 2-tert-butyl-6-methylphenol |
| InChI Key | BKZXZGWHTRCFPX-UHFFFAOYSA-N |
| Molecular Formula | C11H16O |
2,4-Dimethylaniline-5-sulfonic Acid Sodium Salt Hydrate, TCI America™
CAS: 64501-84-4 Molecular Formula: C8H10NNaO3S Molecular Weight (g/mol): 223.222 MDL Number: MFCD00070550 InChI Key: ZETYURDDFWHYDN-UHFFFAOYSA-M Synonym: m-Xylidine-5-sulfonic Acid Sodium Salt PubChem CID: 23691697 IUPAC Name: sodium;5-amino-2,4-dimethylbenzenesulfonate SMILES: CC1=CC(=C(C=C1N)S(=O)(=O)[O-])C.[Na+]
| PubChem CID | 23691697 |
|---|---|
| CAS | 64501-84-4 |
| Molecular Weight (g/mol) | 223.222 |
| MDL Number | MFCD00070550 |
| SMILES | CC1=CC(=C(C=C1N)S(=O)(=O)[O-])C.[Na+] |
| Synonym | m-Xylidine-5-sulfonic Acid Sodium Salt |
| IUPAC Name | sodium;5-amino-2,4-dimethylbenzenesulfonate |
| InChI Key | ZETYURDDFWHYDN-UHFFFAOYSA-M |
| Molecular Formula | C8H10NNaO3S |
3,4-Difluorobenzonitrile 98.0+%, TCI America™
CAS: 64248-62-0 Molecular Formula: C7H3F2N Molecular Weight (g/mol): 139.11 MDL Number: MFCD00011666 InChI Key: BTBFCBQZFMQBNT-UHFFFAOYSA-N Synonym: benzonitrile, 3,4-difluoro,4-cyano-1,2-difluorobenzene,3,4-difluoro benzonitrile,3,4-difluorobenzenecarbonitrile,pubchem1562,acmc-209nkz,3,4 difluorobenzonitrile,3,4-difluoro-benzonitrile,ksc355i7l,4-fluoro-3-fluorobenzonitrile PubChem CID: 587203 IUPAC Name: 3,4-difluorobenzonitrile SMILES: FC1=CC=C(C=C1F)C#N
| PubChem CID | 587203 |
|---|---|
| CAS | 64248-62-0 |
| Molecular Weight (g/mol) | 139.11 |
| MDL Number | MFCD00011666 |
| SMILES | FC1=CC=C(C=C1F)C#N |
| Synonym | benzonitrile, 3,4-difluoro,4-cyano-1,2-difluorobenzene,3,4-difluoro benzonitrile,3,4-difluorobenzenecarbonitrile,pubchem1562,acmc-209nkz,3,4 difluorobenzonitrile,3,4-difluoro-benzonitrile,ksc355i7l,4-fluoro-3-fluorobenzonitrile |
| IUPAC Name | 3,4-difluorobenzonitrile |
| InChI Key | BTBFCBQZFMQBNT-UHFFFAOYSA-N |
| Molecular Formula | C7H3F2N |
4-Methylphthalic Acid 98.0+%, TCI America™
CAS: 4316-23-8 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00041946 InChI Key: CWJJAFQCTXFSTA-UHFFFAOYSA-N Synonym: 1,2-benzenedicarboxylic acid, 4-methyl,phthalic acid, 4-methyl,4-methyl phthalic acid,4-methyl-phthalic acid,4-methylbenzene-1,2-dicarboxylic acid,4-methyl-1,2-benzenedicarboxylic acid,4-methyl-o-phthalate,4-methylphthalicacid,acmc-1amca,4-methylphthalic acid PubChem CID: 20310 IUPAC Name: 4-methylphthalic acid SMILES: CC1=CC(=C(C=C1)C(=O)O)C(=O)O
| PubChem CID | 20310 |
|---|---|
| CAS | 4316-23-8 |
| Molecular Weight (g/mol) | 180.159 |
| MDL Number | MFCD00041946 |
| SMILES | CC1=CC(=C(C=C1)C(=O)O)C(=O)O |
| Synonym | 1,2-benzenedicarboxylic acid, 4-methyl,phthalic acid, 4-methyl,4-methyl phthalic acid,4-methyl-phthalic acid,4-methylbenzene-1,2-dicarboxylic acid,4-methyl-1,2-benzenedicarboxylic acid,4-methyl-o-phthalate,4-methylphthalicacid,acmc-1amca,4-methylphthalic acid |
| IUPAC Name | 4-methylphthalic acid |
| InChI Key | CWJJAFQCTXFSTA-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
4-(Trifluoromethoxy)benzyl Chloride 98.0+%, TCI America™
CAS: 65796-00-1 Molecular Formula: C8H6ClF3O Molecular Weight (g/mol): 210.58 MDL Number: MFCD00052326 InChI Key: LBMKFQMJURUPKC-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy benzyl chloride,1-chloromethyl-4-trifluoromethoxy benzene,4-trifluoromethoxy benzylchloride,4-trifluoromethoxybenzyl chloride,benzene, 1-chloromethyl-4-trifluoromethoxy,4-chloromethyl phenoxy trifluoromethane,pubchem5804,acmc-209ns9,ksc623c1l,p-trifluoromethoxybenzyl chloride PubChem CID: 2777261 IUPAC Name: 1-(chloromethyl)-4-(trifluoromethoxy)benzene SMILES: C1=CC(=CC=C1CCl)OC(F)(F)F
| PubChem CID | 2777261 |
|---|---|
| CAS | 65796-00-1 |
| Molecular Weight (g/mol) | 210.58 |
| MDL Number | MFCD00052326 |
| SMILES | C1=CC(=CC=C1CCl)OC(F)(F)F |
| Synonym | 4-trifluoromethoxy benzyl chloride,1-chloromethyl-4-trifluoromethoxy benzene,4-trifluoromethoxy benzylchloride,4-trifluoromethoxybenzyl chloride,benzene, 1-chloromethyl-4-trifluoromethoxy,4-chloromethyl phenoxy trifluoromethane,pubchem5804,acmc-209ns9,ksc623c1l,p-trifluoromethoxybenzyl chloride |
| IUPAC Name | 1-(chloromethyl)-4-(trifluoromethoxy)benzene |
| InChI Key | LBMKFQMJURUPKC-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClF3O |
Ethyl 2-Chloro-6-fluorophenylacetate 98.0+%, TCI America™
CAS: 214262-85-8 Molecular Formula: C10H10ClFO2 Molecular Weight (g/mol): 216.636 MDL Number: MFCD00800606 InChI Key: CEWCLHPMDWPDNQ-UHFFFAOYSA-N PubChem CID: 2733231 IUPAC Name: ethyl 2-(2-chloro-6-fluorophenyl)acetate SMILES: CCOC(=O)CC1=C(C=CC=C1Cl)F
| PubChem CID | 2733231 |
|---|---|
| CAS | 214262-85-8 |
| Molecular Weight (g/mol) | 216.636 |
| MDL Number | MFCD00800606 |
| SMILES | CCOC(=O)CC1=C(C=CC=C1Cl)F |
| IUPAC Name | ethyl 2-(2-chloro-6-fluorophenyl)acetate |
| InChI Key | CEWCLHPMDWPDNQ-UHFFFAOYSA-N |
| Molecular Formula | C10H10ClFO2 |
Biphenyl-2-carboxylic Acid 98.0+%, TCI America™
CAS: 947-84-2 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.221 MDL Number: MFCD00002463 InChI Key: ILYSAKHOYBPSPC-UHFFFAOYSA-N Synonym: 2-biphenylcarboxylic acid,1,1'-biphenyl-2-carboxylic acid,o-phenylbenzoic acid,biphenyl-2-carboxylic acid,biphenylcarboxylic acid,1,1'-biphenyl carboxylic acid,diphenyl-2-carboxylic acid,phenylbenzoic acid PubChem CID: 70357 IUPAC Name: 2-phenylbenzoic acid SMILES: C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O
| PubChem CID | 70357 |
|---|---|
| CAS | 947-84-2 |
| Molecular Weight (g/mol) | 198.221 |
| MDL Number | MFCD00002463 |
| SMILES | C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O |
| Synonym | 2-biphenylcarboxylic acid,1,1'-biphenyl-2-carboxylic acid,o-phenylbenzoic acid,biphenyl-2-carboxylic acid,biphenylcarboxylic acid,1,1'-biphenyl carboxylic acid,diphenyl-2-carboxylic acid,phenylbenzoic acid |
| IUPAC Name | 2-phenylbenzoic acid |
| InChI Key | ILYSAKHOYBPSPC-UHFFFAOYSA-N |
| Molecular Formula | C13H10O2 |
2,3,4-Trifluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 226396-32-3 Molecular Formula: C6H4BF3O2 Molecular Weight (g/mol): 175.901 MDL Number: MFCD01863168 InChI Key: CLGIPVVEERQWSQ-UHFFFAOYSA-N Synonym: 2,3,4-trifluorophenyl boronic acid,2,3,4-trifluorobenzeneboronic acid,2,3,4-trifluorphenylboronic acid,4,5,6-trifluorophenylboronic acid,boronic acid, 2,3,4-trifluorophenyl,pubchem1887,acmc-1ckzl,trifluorophenylboronic acid,ksc201q5d,jalor-chem i01-8460 PubChem CID: 2783280 IUPAC Name: (2,3,4-trifluorophenyl)boronic acid SMILES: B(C1=C(C(=C(C=C1)F)F)F)(O)O
| PubChem CID | 2783280 |
|---|---|
| CAS | 226396-32-3 |
| Molecular Weight (g/mol) | 175.901 |
| MDL Number | MFCD01863168 |
| SMILES | B(C1=C(C(=C(C=C1)F)F)F)(O)O |
| Synonym | 2,3,4-trifluorophenyl boronic acid,2,3,4-trifluorobenzeneboronic acid,2,3,4-trifluorphenylboronic acid,4,5,6-trifluorophenylboronic acid,boronic acid, 2,3,4-trifluorophenyl,pubchem1887,acmc-1ckzl,trifluorophenylboronic acid,ksc201q5d,jalor-chem i01-8460 |
| IUPAC Name | (2,3,4-trifluorophenyl)boronic acid |
| InChI Key | CLGIPVVEERQWSQ-UHFFFAOYSA-N |
| Molecular Formula | C6H4BF3O2 |