Benzene and substituted derivatives
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Triphenylmethylium Tetrakis(pentafluorophenyl)borate 98.0+%, TCI America™
CAS: 136040-19-2 Molecular Formula: C43H15BF20 Molecular Weight (g/mol): 922.37 MDL Number: MFCD03426981 InChI Key: TZOSNOQHGGONMD-UHFFFAOYSA-N Synonym: triphenylmethylium tetrakis perfluorophenyl borate,trityl tetrakis pentafluorophenyl borate,trityl tetrapentafluorophenyl borate,methylium, triphenyl-, tetrakis pentafluorophenyl borate 1-,triphenylcarbenium tetrakis pentafluorophenyl borate,methylium, triphenyl-, tetrakis 2,3,4,5,6-pentafluorophenyl borate 1-1:1,tetrakis 2,3,4,5,6-pentafluorophenyl boranuide; triphenylmethylium,methylium, triphenyl-, tetrakis pentafluorophenyl borate 1-1:1,tritylium tetrakis pentafluorophenyl borate,triphenylmethyliumtetrakis pentafluorophenyl borate PubChem CID: 9832824 IUPAC Name: tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide; triphenylmethylium SMILES: C1=CC=C(C=C1)[C+](C1=CC=CC=C1)C1=CC=CC=C1.FC1=C(F)C(F)=C(C(F)=C1F)[B-](C1=C(F)C(F)=C(F)C(F)=C1F)(C1=C(F)C(F)=C(F)C(F)=C1F)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 9832824 |
|---|---|
| CAS | 136040-19-2 |
| Molecular Weight (g/mol) | 922.37 |
| MDL Number | MFCD03426981 |
| SMILES | C1=CC=C(C=C1)[C+](C1=CC=CC=C1)C1=CC=CC=C1.FC1=C(F)C(F)=C(C(F)=C1F)[B-](C1=C(F)C(F)=C(F)C(F)=C1F)(C1=C(F)C(F)=C(F)C(F)=C1F)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | triphenylmethylium tetrakis perfluorophenyl borate,trityl tetrakis pentafluorophenyl borate,trityl tetrapentafluorophenyl borate,methylium, triphenyl-, tetrakis pentafluorophenyl borate 1-,triphenylcarbenium tetrakis pentafluorophenyl borate,methylium, triphenyl-, tetrakis 2,3,4,5,6-pentafluorophenyl borate 1-1:1,tetrakis 2,3,4,5,6-pentafluorophenyl boranuide; triphenylmethylium,methylium, triphenyl-, tetrakis pentafluorophenyl borate 1-1:1,tritylium tetrakis pentafluorophenyl borate,triphenylmethyliumtetrakis pentafluorophenyl borate |
| IUPAC Name | tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide; triphenylmethylium |
| InChI Key | TZOSNOQHGGONMD-UHFFFAOYSA-N |
| Molecular Formula | C43H15BF20 |
2,3-Difluoroaniline 97.0+%, TCI America™
CAS: 4519-40-8 Molecular Formula: C6H5F2N Molecular Weight (g/mol): 129.11 MDL Number: MFCD00010298 InChI Key: YCCQGFYAVUTQFK-UHFFFAOYSA-N Synonym: 2,3-difluorobenzenamine,2,3-difluorophenylamine,benzenamine, 2,3-difluoro,2,3-difluoro-phenylamine,difluoraniline,pubchem1530,acmc-1aiiw,2,3-difluorobenzenamine?,2,3-difluorophenyl amine,2,3-difluoroaniline PubChem CID: 78278 IUPAC Name: 2,3-difluoroaniline SMILES: C1=CC(=C(C(=C1)F)F)N
| PubChem CID | 78278 |
|---|---|
| CAS | 4519-40-8 |
| Molecular Weight (g/mol) | 129.11 |
| MDL Number | MFCD00010298 |
| SMILES | C1=CC(=C(C(=C1)F)F)N |
| Synonym | 2,3-difluorobenzenamine,2,3-difluorophenylamine,benzenamine, 2,3-difluoro,2,3-difluoro-phenylamine,difluoraniline,pubchem1530,acmc-1aiiw,2,3-difluorobenzenamine?,2,3-difluorophenyl amine,2,3-difluoroaniline |
| IUPAC Name | 2,3-difluoroaniline |
| InChI Key | YCCQGFYAVUTQFK-UHFFFAOYSA-N |
| Molecular Formula | C6H5F2N |
Pentafluorophenyldimethylchlorosilane 95.0+%, TCI America™
CAS: 20082-71-7 Molecular Formula: C8H6ClF5Si Molecular Weight (g/mol): 260.66 MDL Number: MFCD00000500 InChI Key: PQRFRTCWNCVQHI-UHFFFAOYSA-N Synonym: pentafluorophenyldimethylchlorosilane,flophemesyl chloride,chlorodimethylpentafluorophenylsilane,chlorodimethyl perfluorophenyl silane,silane, chlorodimethyl pentafluorophenyl,chlorodimethyl pentafluorophenyl silane,benzene, 1-chlorodimethylsilyl-2,3,4,5,6-pentafluoro,chlorodimethyl 2,3,4,5,6-pentafluorophenyl silane,chloro dimethyl pentafluorophenyl silane,dimethylpentafluorophenylchlorosilane PubChem CID: 88361 IUPAC Name: chlorodimethyl(2,3,4,5,6-pentafluorophenyl)silane SMILES: C[Si](C)(Cl)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 88361 |
|---|---|
| CAS | 20082-71-7 |
| Molecular Weight (g/mol) | 260.66 |
| MDL Number | MFCD00000500 |
| SMILES | C[Si](C)(Cl)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | pentafluorophenyldimethylchlorosilane,flophemesyl chloride,chlorodimethylpentafluorophenylsilane,chlorodimethyl perfluorophenyl silane,silane, chlorodimethyl pentafluorophenyl,chlorodimethyl pentafluorophenyl silane,benzene, 1-chlorodimethylsilyl-2,3,4,5,6-pentafluoro,chlorodimethyl 2,3,4,5,6-pentafluorophenyl silane,chloro dimethyl pentafluorophenyl silane,dimethylpentafluorophenylchlorosilane |
| IUPAC Name | chlorodimethyl(2,3,4,5,6-pentafluorophenyl)silane |
| InChI Key | PQRFRTCWNCVQHI-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClF5Si |
1-Bromo-3,4-difluorobenzene 98.0+%, TCI America™
CAS: 348-61-8 Molecular Formula: C6H3BrF2 Molecular Weight (g/mol): 192.99 MDL Number: MFCD00000304 InChI Key: YMQPKONILWWJQG-UHFFFAOYSA-N Synonym: 1-bromo-3,4-difluorobenzene,3,4-difluorobromobenzene,benzene, 4-bromo-1,2-difluoro,3,4-difluorobromebenzene,4-bromo-1,2-difluoro-benzene,3,4-difluoro-1-bromobenzene,paragos 390209,fr bf de,pubchem2303,3,4-difluorophenylbromide PubChem CID: 67675 IUPAC Name: 4-bromo-1,2-difluorobenzene SMILES: FC1=CC=C(Br)C=C1F
| PubChem CID | 67675 |
|---|---|
| CAS | 348-61-8 |
| Molecular Weight (g/mol) | 192.99 |
| MDL Number | MFCD00000304 |
| SMILES | FC1=CC=C(Br)C=C1F |
| Synonym | 1-bromo-3,4-difluorobenzene,3,4-difluorobromobenzene,benzene, 4-bromo-1,2-difluoro,3,4-difluorobromebenzene,4-bromo-1,2-difluoro-benzene,3,4-difluoro-1-bromobenzene,paragos 390209,fr bf de,pubchem2303,3,4-difluorophenylbromide |
| IUPAC Name | 4-bromo-1,2-difluorobenzene |
| InChI Key | YMQPKONILWWJQG-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF2 |
4-Amino-2-methoxybenzonitrile 97.0+%, TCI America™
CAS: 7251-09-4 Molecular Formula: C8H8N2O Molecular Weight (g/mol): 148.17 MDL Number: MFCD09027303 InChI Key: KTDRJLRJAHBQDQ-UHFFFAOYSA-N Synonym: 4-Cyano-3-methoxyaniline, 5-Amino-2-cyanoanisole PubChem CID: 232735 IUPAC Name: 4-amino-2-methoxybenzonitrile SMILES: COC1=C(C=CC(=C1)N)C#N
| PubChem CID | 232735 |
|---|---|
| CAS | 7251-09-4 |
| Molecular Weight (g/mol) | 148.17 |
| MDL Number | MFCD09027303 |
| SMILES | COC1=C(C=CC(=C1)N)C#N |
| Synonym | 4-Cyano-3-methoxyaniline, 5-Amino-2-cyanoanisole |
| IUPAC Name | 4-amino-2-methoxybenzonitrile |
| InChI Key | KTDRJLRJAHBQDQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O |
2-Amino-3-bromo-5-nitrobenzonitrile 98.0+%, TCI America™
CAS: 17601-94-4 Molecular Formula: C7H4BrN3O2 Molecular Weight (g/mol): 242.032 MDL Number: MFCD00054185 InChI Key: MUHLVSZIVTURCZ-UHFFFAOYSA-N Synonym: benzonitrile, 2-amino-3-bromo-5-nitro,6-bromo-2-cyano-4-nitroaniline,2-bromo-6-cyano-4-nitroaniline,2-cyano-4-nitro-6-bromoaniline,2-amino-3-bromo-5-nitrobenzenecarbonitrile,pubchem2331,2-amino-3-bromo-1-cyano-5-nitrobenzene,acmc-1bus8,cambridge id 5228140,ksc496g6h PubChem CID: 87173 IUPAC Name: 2-amino-3-bromo-5-nitrobenzonitrile SMILES: C1=C(C=C(C(=C1Br)N)C#N)[N+](=O)[O-]
| PubChem CID | 87173 |
|---|---|
| CAS | 17601-94-4 |
| Molecular Weight (g/mol) | 242.032 |
| MDL Number | MFCD00054185 |
| SMILES | C1=C(C=C(C(=C1Br)N)C#N)[N+](=O)[O-] |
| Synonym | benzonitrile, 2-amino-3-bromo-5-nitro,6-bromo-2-cyano-4-nitroaniline,2-bromo-6-cyano-4-nitroaniline,2-cyano-4-nitro-6-bromoaniline,2-amino-3-bromo-5-nitrobenzenecarbonitrile,pubchem2331,2-amino-3-bromo-1-cyano-5-nitrobenzene,acmc-1bus8,cambridge id 5228140,ksc496g6h |
| IUPAC Name | 2-amino-3-bromo-5-nitrobenzonitrile |
| InChI Key | MUHLVSZIVTURCZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrN3O2 |
4-(Methylsulfonyl)aniline 98.0+%, TCI America™
CAS: 5470-49-5 Molecular Formula: C7H9NO2S Molecular Weight (g/mol): 171.21 MDL Number: MFCD00025353 InChI Key: XJEVFFNOMKXBLU-UHFFFAOYSA-N Synonym: 4-methylsulfonyl aniline,4-methylsulphonyl aniline,4-mesylaniline,4-methanesulfonylaniline,p-methylsulfonyl aniline,benzeneamine, 4-methylsulfonyl,benzenamine, 4-methylsulfonyl,4-methylsulfonyl benzenamine,4-methylsulphonylaniline PubChem CID: 79617 IUPAC Name: 4-methanesulfonylaniline SMILES: CS(=O)(=O)C1=CC=C(N)C=C1
| PubChem CID | 79617 |
|---|---|
| CAS | 5470-49-5 |
| Molecular Weight (g/mol) | 171.21 |
| MDL Number | MFCD00025353 |
| SMILES | CS(=O)(=O)C1=CC=C(N)C=C1 |
| Synonym | 4-methylsulfonyl aniline,4-methylsulphonyl aniline,4-mesylaniline,4-methanesulfonylaniline,p-methylsulfonyl aniline,benzeneamine, 4-methylsulfonyl,benzenamine, 4-methylsulfonyl,4-methylsulfonyl benzenamine,4-methylsulphonylaniline |
| IUPAC Name | 4-methanesulfonylaniline |
| InChI Key | XJEVFFNOMKXBLU-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO2S |
3-Bromo-5-nitrobenzoic Acid 98.0+%, TCI America™
CAS: 6307-83-1 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00100098 InChI Key: AXRKIZCFYZBBPX-UHFFFAOYSA-N Synonym: 3-bromo-5-nitrobenzoic acid,5-bromo-3-nitrobenzoic acid,benzoic acid, 3-bromo-5-nitro,3-bromo-5-nitro-benzoic acid,3-bromo-5-nitrobenzoicacid,pubchem4734,acmc-209ncw,ksc357s4t,3-bromo-5-nitro benzoic acid PubChem CID: 239336 SMILES: C1=C(C=C(C=C1[N+](=O)[O-])Br)C(=O)O
| PubChem CID | 239336 |
|---|---|
| CAS | 6307-83-1 |
| Molecular Weight (g/mol) | 246.016 |
| MDL Number | MFCD00100098 |
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])Br)C(=O)O |
| Synonym | 3-bromo-5-nitrobenzoic acid,5-bromo-3-nitrobenzoic acid,benzoic acid, 3-bromo-5-nitro,3-bromo-5-nitro-benzoic acid,3-bromo-5-nitrobenzoicacid,pubchem4734,acmc-209ncw,ksc357s4t,3-bromo-5-nitro benzoic acid |
| InChI Key | AXRKIZCFYZBBPX-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO4 |
2-Fluoro-4-nitrobenzoic Acid 98.0+%, TCI America™
CAS: 403-24-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00275565 InChI Key: MMWFMFZFCKADEL-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure PubChem CID: 302679 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O
| PubChem CID | 302679 |
|---|---|
| CAS | 403-24-7 |
| Molecular Weight (g/mol) | 185.11 |
| MDL Number | MFCD00275565 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O |
| Synonym | 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure |
| InChI Key | MMWFMFZFCKADEL-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO4 |
| PubChem CID | 2773315 |
|---|---|
| CAS | 101084-81-5 |
| Molecular Weight (g/mol) | 210.936 |
| MDL Number | MFCD00757433 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O |
| TSCA | No |
| IUPAC Name | 3-borono-5-nitrobenzoic acid |
| InChI Key | WNIFCLWDGNHGMX-UHFFFAOYSA-N |
| Molecular Formula | C7H6BNO6 |
| Formula Weight | 210.94 |
| Melting Point | 229°C |
Methyl 2-Nitrobenzoate 98.0+%, TCI America™
CAS: 606-27-9 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007136 InChI Key: AOXPHVNMBPFOFS-UHFFFAOYSA-N Synonym: methyl o-nitrobenzoate,benzoic acid, 2-nitro-, methyl ester,2-nitro-benzoic acid methyl ester,benzoic acid, o-nitro-, methyl ester,2-nitrobenzoic acid methyl ester,methyl-2-nitrobenzoate,methyl o-nitro benzoate,methyl ortho-nitrobenzoate,acmc-209ml4,nitrobenzoic acid methyl ester PubChem CID: 69072 IUPAC Name: methyl 2-nitrobenzoate SMILES: COC(=O)C1=CC=CC=C1[N+](=O)[O-]
| PubChem CID | 69072 |
|---|---|
| CAS | 606-27-9 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007136 |
| SMILES | COC(=O)C1=CC=CC=C1[N+](=O)[O-] |
| Synonym | methyl o-nitrobenzoate,benzoic acid, 2-nitro-, methyl ester,2-nitro-benzoic acid methyl ester,benzoic acid, o-nitro-, methyl ester,2-nitrobenzoic acid methyl ester,methyl-2-nitrobenzoate,methyl o-nitro benzoate,methyl ortho-nitrobenzoate,acmc-209ml4,nitrobenzoic acid methyl ester |
| IUPAC Name | methyl 2-nitrobenzoate |
| InChI Key | AOXPHVNMBPFOFS-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
2-Methyl-5-nitrobenzoic Acid 98.0+%, TCI America™
CAS: 1975-52-6 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007371 InChI Key: DJRFJAVPROZZFL-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244 PubChem CID: 519683 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O
| PubChem CID | 519683 |
|---|---|
| CAS | 1975-52-6 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007371 |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O |
| Synonym | 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244 |
| InChI Key | DJRFJAVPROZZFL-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
4-Phenylbutylamine Hydrochloride 98.0+%, TCI America™
CAS: 30684-06-1 Molecular Formula: C10H16ClN Molecular Weight (g/mol): 185.695 MDL Number: MFCD03093616 InChI Key: DGDORWAJHREUEO-UHFFFAOYSA-N Synonym: 1-Amino-4-phenylbutane Hydrochloride PubChem CID: 44630065 IUPAC Name: 4-phenylbutan-1-amine;hydrochloride SMILES: C1=CC=C(C=C1)CCCCN.Cl
| PubChem CID | 44630065 |
|---|---|
| CAS | 30684-06-1 |
| Molecular Weight (g/mol) | 185.695 |
| MDL Number | MFCD03093616 |
| SMILES | C1=CC=C(C=C1)CCCCN.Cl |
| Synonym | 1-Amino-4-phenylbutane Hydrochloride |
| IUPAC Name | 4-phenylbutan-1-amine;hydrochloride |
| InChI Key | DGDORWAJHREUEO-UHFFFAOYSA-N |
| Molecular Formula | C10H16ClN |
2-Amino-5-chloro-2'-fluorobenzophenone 98.0+%, TCI America™
CAS: 784-38-3 Molecular Formula: C13H9ClFNO Molecular Weight (g/mol): 249.669 MDL Number: MFCD00038381 InChI Key: GTGMXPIQRQSORU-UHFFFAOYSA-N Synonym: 2-amino-5-chloro-2'-fluorobenzophenone,2-amino-5-chlorophenyl 2-fluorophenyl methanone,2-amino-2'-fluoro-5-chlorobenzophenone,methanone, 2-amino-5-chlorophenyl 2-fluorophenyl,4-chloro-2-2-fluorobenzoyl aniline,2-amino-5-chloro-phenyl-2-fluorophenyl methanone,2-amino-5-chlorophenyl 2-fluorophenyl ketone,2-amino-5-chlorophenyl-2-fluorophenyl methanone,pubchem3252,acmc-1bd5r PubChem CID: 69912 IUPAC Name: (2-amino-5-chlorophenyl)-(2-fluorophenyl)methanone SMILES: C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)N)F
| PubChem CID | 69912 |
|---|---|
| CAS | 784-38-3 |
| Molecular Weight (g/mol) | 249.669 |
| MDL Number | MFCD00038381 |
| SMILES | C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)N)F |
| Synonym | 2-amino-5-chloro-2'-fluorobenzophenone,2-amino-5-chlorophenyl 2-fluorophenyl methanone,2-amino-2'-fluoro-5-chlorobenzophenone,methanone, 2-amino-5-chlorophenyl 2-fluorophenyl,4-chloro-2-2-fluorobenzoyl aniline,2-amino-5-chloro-phenyl-2-fluorophenyl methanone,2-amino-5-chlorophenyl 2-fluorophenyl ketone,2-amino-5-chlorophenyl-2-fluorophenyl methanone,pubchem3252,acmc-1bd5r |
| IUPAC Name | (2-amino-5-chlorophenyl)-(2-fluorophenyl)methanone |
| InChI Key | GTGMXPIQRQSORU-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClFNO |