Benzene and substituted derivatives
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4-Methyl-3,5-dinitrobenzoic Acid 98.0+%, TCI America™
CAS: 16533-71-4 Molecular Formula: C8H6N2O6 Molecular Weight (g/mol): 226.14 MDL Number: MFCD00007175 InChI Key: LZWWZQXBKVZKIP-UHFFFAOYSA-N Synonym: 4-methyl-3,5-dinitrobenzoic acid,3,5-dinitro-4-methylbenzoic acid,3,5-dinitro-p-toluic acid,3,5-dinitro-4-methyl benzoic acid,benzoic acid, 4-methyl-3,5-dinitro,p-toluic acid, 3,5-dinitro,acmc-209dsg,p-toluic acid,5-dinitro,ksc496a8j,3,5-dinitro-4-methylbenzoicacid PubChem CID: 85477 IUPAC Name: 4-methyl-3,5-dinitrobenzoic acid SMILES: CC1=C(C=C(C=C1[N+]([O-])=O)C(O)=O)[N+]([O-])=O
| PubChem CID | 85477 |
|---|---|
| CAS | 16533-71-4 |
| Molecular Weight (g/mol) | 226.14 |
| MDL Number | MFCD00007175 |
| SMILES | CC1=C(C=C(C=C1[N+]([O-])=O)C(O)=O)[N+]([O-])=O |
| Synonym | 4-methyl-3,5-dinitrobenzoic acid,3,5-dinitro-4-methylbenzoic acid,3,5-dinitro-p-toluic acid,3,5-dinitro-4-methyl benzoic acid,benzoic acid, 4-methyl-3,5-dinitro,p-toluic acid, 3,5-dinitro,acmc-209dsg,p-toluic acid,5-dinitro,ksc496a8j,3,5-dinitro-4-methylbenzoicacid |
| IUPAC Name | 4-methyl-3,5-dinitrobenzoic acid |
| InChI Key | LZWWZQXBKVZKIP-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O6 |
2,4-Difluorophenyl Isocyanate 98.0+%, TCI America™
CAS: 59025-55-7 Molecular Formula: C7H3F2NO Molecular Weight (g/mol): 155.10 MDL Number: MFCD00001997 InChI Key: HNENEALJPWJWJY-UHFFFAOYSA-N Synonym: 2,4-difluorophenyl isocyanate,2,4-difluorophenylisocyanate,benzene, 2,4-difluoro-1-isocyanato,isocyanic acid 2,4-difluorophenyl ester,2,4-difluoro-1-isocyanato-benzene,2,4-difluoroisocyanatobenzene,timtec-bb sbb006537,pubchem4453,2,4-diflurophenylisocyanate,acmc-1b06k PubChem CID: 593258 IUPAC Name: 2,4-difluoro-1-isocyanatobenzene SMILES: FC1=CC=C(N=C=O)C(F)=C1
| PubChem CID | 593258 |
|---|---|
| CAS | 59025-55-7 |
| Molecular Weight (g/mol) | 155.10 |
| MDL Number | MFCD00001997 |
| SMILES | FC1=CC=C(N=C=O)C(F)=C1 |
| Synonym | 2,4-difluorophenyl isocyanate,2,4-difluorophenylisocyanate,benzene, 2,4-difluoro-1-isocyanato,isocyanic acid 2,4-difluorophenyl ester,2,4-difluoro-1-isocyanato-benzene,2,4-difluoroisocyanatobenzene,timtec-bb sbb006537,pubchem4453,2,4-diflurophenylisocyanate,acmc-1b06k |
| IUPAC Name | 2,4-difluoro-1-isocyanatobenzene |
| InChI Key | HNENEALJPWJWJY-UHFFFAOYSA-N |
| Molecular Formula | C7H3F2NO |
3,5-Difluorophenylacetic Acid 98.0+%, TCI America™
CAS: 105184-38-1 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00010316 InChI Key: IGGNSAVLXJKCNH-UHFFFAOYSA-N Synonym: 3,5-difluorophenylacetic acid,2-3,5-difluorophenyl acetic acid,3,5-difluorophenylaceticacid,3,5-difluorobenzeneacetic acid,3,5-difluorophenyl acetic acid,3,5-difluoro-phenyl-acetic acid,benzeneacetic acid, 3,5-difluoro,3,5-diifluorophenylacetic acid,3,5-difluorophenylac PubChem CID: 145424 IUPAC Name: 2-(3,5-difluorophenyl)acetic acid SMILES: C1=C(C=C(C=C1F)F)CC(=O)O
| PubChem CID | 145424 |
|---|---|
| CAS | 105184-38-1 |
| Molecular Weight (g/mol) | 172.131 |
| MDL Number | MFCD00010316 |
| SMILES | C1=C(C=C(C=C1F)F)CC(=O)O |
| Synonym | 3,5-difluorophenylacetic acid,2-3,5-difluorophenyl acetic acid,3,5-difluorophenylaceticacid,3,5-difluorobenzeneacetic acid,3,5-difluorophenyl acetic acid,3,5-difluoro-phenyl-acetic acid,benzeneacetic acid, 3,5-difluoro,3,5-diifluorophenylacetic acid,3,5-difluorophenylac |
| IUPAC Name | 2-(3,5-difluorophenyl)acetic acid |
| InChI Key | IGGNSAVLXJKCNH-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
Methyl 3,5-Dibromo-4-methylbenzoate 98.0+%, TCI America™
CAS: 74896-66-5 Molecular Formula: C9H8Br2O2 Molecular Weight (g/mol): 307.97 MDL Number: MFCD00010729 InChI Key: SRLAXDDPVYZYNI-UHFFFAOYSA-N Synonym: 3,5-dibromo-4-methylbenzoic acid methyl ester,methyl 3,5-dibromo-p-toluate,3,5-dibromo-p-toluic acid methyl ester,pubchem4611,methyl3,5-dibromo-4-methylbenzoate,acmc-1bm25,zerenex e/9072914,methyl 3,5-dibromo-4-methyl-benzoate,methyl 3,5-bis bromanyl-4-methyl-benzoate,2,6-dibromo-4-methoxycarbonyl toluene PubChem CID: 624016 IUPAC Name: methyl 3,5-dibromo-4-methylbenzoate SMILES: COC(=O)C1=CC(Br)=C(C)C(Br)=C1
| PubChem CID | 624016 |
|---|---|
| CAS | 74896-66-5 |
| Molecular Weight (g/mol) | 307.97 |
| MDL Number | MFCD00010729 |
| SMILES | COC(=O)C1=CC(Br)=C(C)C(Br)=C1 |
| Synonym | 3,5-dibromo-4-methylbenzoic acid methyl ester,methyl 3,5-dibromo-p-toluate,3,5-dibromo-p-toluic acid methyl ester,pubchem4611,methyl3,5-dibromo-4-methylbenzoate,acmc-1bm25,zerenex e/9072914,methyl 3,5-dibromo-4-methyl-benzoate,methyl 3,5-bis bromanyl-4-methyl-benzoate,2,6-dibromo-4-methoxycarbonyl toluene |
| IUPAC Name | methyl 3,5-dibromo-4-methylbenzoate |
| InChI Key | SRLAXDDPVYZYNI-UHFFFAOYSA-N |
| Molecular Formula | C9H8Br2O2 |
p-Toluidine Hydrochloride 98.0+%, TCI America™
CAS: 540-23-8 Molecular Formula: C7H10ClN Molecular Weight (g/mol): 143.61 MDL Number: MFCD00035497 InChI Key: JQKBUTDZZRGQDR-UHFFFAOYSA-N PubChem CID: 10891 IUPAC Name: hydrogen 4-methylaniline chloride SMILES: [H+].[Cl-].CC1=CC=C(N)C=C1
| PubChem CID | 10891 |
|---|---|
| CAS | 540-23-8 |
| Molecular Weight (g/mol) | 143.61 |
| MDL Number | MFCD00035497 |
| SMILES | [H+].[Cl-].CC1=CC=C(N)C=C1 |
| IUPAC Name | hydrogen 4-methylaniline chloride |
| InChI Key | JQKBUTDZZRGQDR-UHFFFAOYSA-N |
| Molecular Formula | C7H10ClN |
| PubChem CID | 2734334 |
|---|---|
| CAS | 144025-03-6 |
| MDL Number | MFCD01318998 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (2,4-difluorophenyl)boronic acid |
| InChI Key | QQLRSCZSKQTFGY-UHFFFAOYSA-N |
| Molecular Formula | C6H5BF2O2 |
| Formula Weight | 157.91 |
| Melting Point | 250°C |
alpha-Chloro-o-xylene 98.0+%, TCI America™
CAS: 552-45-4 Molecular Formula: C8H9Cl Molecular Weight (g/mol): 140.61 MDL Number: MFCD00000899 InChI Key: VQRBXYBBGHOGFT-UHFFFAOYSA-N Synonym: 2-methylbenzyl chloride,1-chloromethyl-2-methylbenzene,o-xylyl chloride,alpha-chloro-o-xylene,o-methylbenzyl chloride,o-chloromethyl toluene,benzene, 1-chloromethyl-2-methyl,2-methylbenzylchloride,2-chloromethyl toluene,unii-eqt3v044tw PubChem CID: 11093 IUPAC Name: 1-(chloromethyl)-2-methylbenzene SMILES: CC1=CC=CC=C1CCl
| PubChem CID | 11093 |
|---|---|
| CAS | 552-45-4 |
| Molecular Weight (g/mol) | 140.61 |
| MDL Number | MFCD00000899 |
| SMILES | CC1=CC=CC=C1CCl |
| Synonym | 2-methylbenzyl chloride,1-chloromethyl-2-methylbenzene,o-xylyl chloride,alpha-chloro-o-xylene,o-methylbenzyl chloride,o-chloromethyl toluene,benzene, 1-chloromethyl-2-methyl,2-methylbenzylchloride,2-chloromethyl toluene,unii-eqt3v044tw |
| IUPAC Name | 1-(chloromethyl)-2-methylbenzene |
| InChI Key | VQRBXYBBGHOGFT-UHFFFAOYSA-N |
| Molecular Formula | C8H9Cl |
4-Chlorobenzhydryl Chloride 96.0+%, TCI America™
CAS: 134-83-8 Molecular Formula: C13H10Cl2 Molecular Weight (g/mol): 237.123 MDL Number: MFCD00000856 InChI Key: ALKWTKGPKKAZMN-UHFFFAOYSA-N Synonym: 4-chlorobenzhydryl chloride,4-chlorobenzhydrylchloride,p-chlorobenzhydryl chloride,1-chloro-4-chloro phenyl methyl benzene,benzene, 1-chloro-4-chlorophenylmethyl,chloro 4-chlorophenyl phenylmethane,chloro p-chlorophenyl phenylmethane,methane, chloro p-chlorophenyl phenyl,1-chloro-4-chlorophenylmethyl benzene PubChem CID: 241584 IUPAC Name: 1-chloro-4-[chloro(phenyl)methyl]benzene SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)Cl
| PubChem CID | 241584 |
|---|---|
| CAS | 134-83-8 |
| Molecular Weight (g/mol) | 237.123 |
| MDL Number | MFCD00000856 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)Cl |
| Synonym | 4-chlorobenzhydryl chloride,4-chlorobenzhydrylchloride,p-chlorobenzhydryl chloride,1-chloro-4-chloro phenyl methyl benzene,benzene, 1-chloro-4-chlorophenylmethyl,chloro 4-chlorophenyl phenylmethane,chloro p-chlorophenyl phenylmethane,methane, chloro p-chlorophenyl phenyl,1-chloro-4-chlorophenylmethyl benzene |
| IUPAC Name | 1-chloro-4-[chloro(phenyl)methyl]benzene |
| InChI Key | ALKWTKGPKKAZMN-UHFFFAOYSA-N |
| Molecular Formula | C13H10Cl2 |
4-Chloro-3-nitrobenzaldehyde 95.0+%, TCI America™
CAS: 16588-34-4 Molecular Formula: C7H4ClNO3 Molecular Weight (g/mol): 185.56 MDL Number: MFCD00007078 InChI Key: HETBKLHJEWXWBM-UHFFFAOYSA-N Synonym: 3-nitro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-3-nitro,chembl51664,4-chloro-3-nitro-benzaldehyde,pubchem14274,acmc-1c7bn,3nitro-4-chlorobenzaldehyde,asischem r36965,dsstox_cid_24846,dsstox_rid_80526 PubChem CID: 85505 IUPAC Name: 4-chloro-3-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC(C=O)=CC=C1Cl
| PubChem CID | 85505 |
|---|---|
| CAS | 16588-34-4 |
| Molecular Weight (g/mol) | 185.56 |
| MDL Number | MFCD00007078 |
| SMILES | [O-][N+](=O)C1=CC(C=O)=CC=C1Cl |
| Synonym | 3-nitro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-3-nitro,chembl51664,4-chloro-3-nitro-benzaldehyde,pubchem14274,acmc-1c7bn,3nitro-4-chlorobenzaldehyde,asischem r36965,dsstox_cid_24846,dsstox_rid_80526 |
| IUPAC Name | 4-chloro-3-nitrobenzaldehyde |
| InChI Key | HETBKLHJEWXWBM-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO3 |
4-Chloro-3-nitrobenzotrifluoride 97.0+%, TCI America™
CAS: 121-17-5 Molecular Formula: C7H3ClF3NO2 Molecular Weight (g/mol): 225.55 MDL Number: MFCD00007084 InChI Key: TZGFQIXRVUHDLE-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrobenzotrifluoride,1-chloro-2-nitro-4-trifluoromethyl benzene,3-nitro-4-chlorobenzotrifluoride,2-chloro-5-trifluoromethyl nitrobenzene,benzene, 1-chloro-2-nitro-4-trifluoromethyl,cmnt,2-nitro-4-trifluoromethylchlorobenzene,3-nitro-4-chlorotrifluoromethylbenzene,4-chloro-3-nitro-a,a,a-trifluorotoluene,4-chloro-3-nitrobenzylidyne fluoride PubChem CID: 8462 IUPAC Name: 1-chloro-2-nitro-4-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC(=CC=C1Cl)C(F)(F)F
| PubChem CID | 8462 |
|---|---|
| CAS | 121-17-5 |
| Molecular Weight (g/mol) | 225.55 |
| MDL Number | MFCD00007084 |
| SMILES | [O-][N+](=O)C1=CC(=CC=C1Cl)C(F)(F)F |
| Synonym | 4-chloro-3-nitrobenzotrifluoride,1-chloro-2-nitro-4-trifluoromethyl benzene,3-nitro-4-chlorobenzotrifluoride,2-chloro-5-trifluoromethyl nitrobenzene,benzene, 1-chloro-2-nitro-4-trifluoromethyl,cmnt,2-nitro-4-trifluoromethylchlorobenzene,3-nitro-4-chlorotrifluoromethylbenzene,4-chloro-3-nitro-a,a,a-trifluorotoluene,4-chloro-3-nitrobenzylidyne fluoride |
| IUPAC Name | 1-chloro-2-nitro-4-(trifluoromethyl)benzene |
| InChI Key | TZGFQIXRVUHDLE-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClF3NO2 |
2,5-Di-tert-amylhydroquinone 93.0+%, TCI America™
CAS: 79-74-3 Molecular Formula: C16H26O2 Molecular Weight (g/mol): 250.38 MDL Number: MFCD00027029 InChI Key: CZNRFEXEPBITDS-UHFFFAOYSA-N Synonym: 2,5-Di-tert-pentylhydroquinone PubChem CID: 6610 IUPAC Name: 2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol SMILES: CCC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)CC
| PubChem CID | 6610 |
|---|---|
| CAS | 79-74-3 |
| Molecular Weight (g/mol) | 250.38 |
| MDL Number | MFCD00027029 |
| SMILES | CCC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)CC |
| Synonym | 2,5-Di-tert-pentylhydroquinone |
| IUPAC Name | 2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol |
| InChI Key | CZNRFEXEPBITDS-UHFFFAOYSA-N |
| Molecular Formula | C16H26O2 |
2-Chloro-6-fluorophenylacetic Acid 98.0+%, TCI America™
CAS: 37777-76-7 Molecular Formula: C8H6ClFO2 Molecular Weight (g/mol): 188.582 MDL Number: MFCD00004319 InChI Key: GUAIAAXDEJZRBP-UHFFFAOYSA-N Synonym: 2-chloro-6-fluorophenylacetic acid,2-2-chloro-6-fluorophenyl acetic acid,2-chloro-6-fluorophenyl acetic acid,2-chloro-6-fluorophenylaceticacid,benzeneacetic acid, 2-chloro-6-fluoro,2-chloro-6-fluoro-phenyl-acetic acid,pubchem4254,acmc-1aewm,rarechem al bo 0114 PubChem CID: 123464 IUPAC Name: 2-(2-chloro-6-fluorophenyl)acetic acid SMILES: C1=CC(=C(C(=C1)Cl)CC(=O)O)F
| PubChem CID | 123464 |
|---|---|
| CAS | 37777-76-7 |
| Molecular Weight (g/mol) | 188.582 |
| MDL Number | MFCD00004319 |
| SMILES | C1=CC(=C(C(=C1)Cl)CC(=O)O)F |
| Synonym | 2-chloro-6-fluorophenylacetic acid,2-2-chloro-6-fluorophenyl acetic acid,2-chloro-6-fluorophenyl acetic acid,2-chloro-6-fluorophenylaceticacid,benzeneacetic acid, 2-chloro-6-fluoro,2-chloro-6-fluoro-phenyl-acetic acid,pubchem4254,acmc-1aewm,rarechem al bo 0114 |
| IUPAC Name | 2-(2-chloro-6-fluorophenyl)acetic acid |
| InChI Key | GUAIAAXDEJZRBP-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClFO2 |
Cinnamyl Chloride 95.0+%, TCI America™
CAS: 2687-12-9 Molecular Formula: C9H9Cl Molecular Weight (g/mol): 152.62 MDL Number: MFCD00000986 InChI Key: IWTYTFSSTWXZFU-QPJJXVBHSA-N Synonym: cinnamyl chloride,3-chloroprop-1-en-1-yl benzene,3-chloro-1-phenyl-1-propene,trans-cinnamyl chloride,1e-3-chloroprop-1-en-1-yl benzene,benzene, 3-chloropropenyl,e-3-chloroprop-1-enyl benzene,unii-2i1adl56tx,2i1adl56tx,cinnamylchloride PubChem CID: 639658 IUPAC Name: [(E)-3-chloroprop-1-enyl]benzene SMILES: C1=CC=C(C=C1)C=CCCl
| PubChem CID | 639658 |
|---|---|
| CAS | 2687-12-9 |
| Molecular Weight (g/mol) | 152.62 |
| MDL Number | MFCD00000986 |
| SMILES | C1=CC=C(C=C1)C=CCCl |
| Synonym | cinnamyl chloride,3-chloroprop-1-en-1-yl benzene,3-chloro-1-phenyl-1-propene,trans-cinnamyl chloride,1e-3-chloroprop-1-en-1-yl benzene,benzene, 3-chloropropenyl,e-3-chloroprop-1-enyl benzene,unii-2i1adl56tx,2i1adl56tx,cinnamylchloride |
| IUPAC Name | [(E)-3-chloroprop-1-enyl]benzene |
| InChI Key | IWTYTFSSTWXZFU-QPJJXVBHSA-N |
| Molecular Formula | C9H9Cl |
3-Chloro-4-fluorobenzoic Acid 98.0+%, TCI America™
CAS: 403-16-7 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.555 MDL Number: MFCD00042477 InChI Key: PKTSBFXIHLYGEY-UHFFFAOYSA-N Synonym: 4-fluoro-3-chlorobenzoic acid,3-chloro-4-fluoro-benzoic acid,4-fluoro-3-chlorobenzoyl acid,benzoic acid, 3-chloro-4-fluoro,3-chloro-4-fluorobenzoicacid,4-fluoro-3-chloro benzoyl acid,pubchem1334,acmc-209jcy,3-chloro4-fluorobenzoic acid PubChem CID: 520989 IUPAC Name: 3-chloro-4-fluorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)Cl)F
| PubChem CID | 520989 |
|---|---|
| CAS | 403-16-7 |
| Molecular Weight (g/mol) | 174.555 |
| MDL Number | MFCD00042477 |
| SMILES | C1=CC(=C(C=C1C(=O)O)Cl)F |
| Synonym | 4-fluoro-3-chlorobenzoic acid,3-chloro-4-fluoro-benzoic acid,4-fluoro-3-chlorobenzoyl acid,benzoic acid, 3-chloro-4-fluoro,3-chloro-4-fluorobenzoicacid,4-fluoro-3-chloro benzoyl acid,pubchem1334,acmc-209jcy,3-chloro4-fluorobenzoic acid |
| IUPAC Name | 3-chloro-4-fluorobenzoic acid |
| InChI Key | PKTSBFXIHLYGEY-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO2 |
Cyclopropyltriphenylphosphonium Bromide 97.0+%, TCI America™
CAS: 14114-05-7 Molecular Formula: C21H20BrP Molecular Weight (g/mol): 383.27 MDL Number: MFCD00011872 InChI Key: XMPWFKHMCNRJCL-UHFFFAOYSA-M Synonym: cyclopropyltriphenylphosphonium bromide,phosphonium, cyclopropyltriphenyl-, bromide,cyclopropyltriphenylphosphanium bromide,cyclopropyl triphenyl phosphanium bromide,acmc-209cls,cyclopropyltriphenylphosphoniumbromide,cyclopropyl triphenylphosphonium bromide,cyclopropyl-triphenylphosphonium bromide,cyclopropyltriphenyl-phosphonium bromide,triphenyl-cyclopropylphosphonium bromide PubChem CID: 2723931 IUPAC Name: cyclopropyltriphenylphosphanium bromide SMILES: [Br-].C1CC1[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2723931 |
|---|---|
| CAS | 14114-05-7 |
| Molecular Weight (g/mol) | 383.27 |
| MDL Number | MFCD00011872 |
| SMILES | [Br-].C1CC1[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | cyclopropyltriphenylphosphonium bromide,phosphonium, cyclopropyltriphenyl-, bromide,cyclopropyltriphenylphosphanium bromide,cyclopropyl triphenyl phosphanium bromide,acmc-209cls,cyclopropyltriphenylphosphoniumbromide,cyclopropyl triphenylphosphonium bromide,cyclopropyl-triphenylphosphonium bromide,cyclopropyltriphenyl-phosphonium bromide,triphenyl-cyclopropylphosphonium bromide |
| IUPAC Name | cyclopropyltriphenylphosphanium bromide |
| InChI Key | XMPWFKHMCNRJCL-UHFFFAOYSA-M |
| Molecular Formula | C21H20BrP |