Benzene and substituted derivatives
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2,4,5-Trimethoxybenzoic Acid 98.0+%, TCI America™
CAS: 490-64-2 Molecular Formula: C10H11O5 Molecular Weight (g/mol): 211.19 MDL Number: MFCD00002435 InChI Key: KVZUCOGWKYOPID-UHFFFAOYSA-M Synonym: asaronic acid,benzoic acid, 2,4,5-trimethoxy,asarylic acid,calamonic acid,acmc-209ket,2,4,5-trimethoxybenzoicacid,ksc489o7d,2,4,5-trimethoxy-benzoic acid,2,4,5-trimethoxybenzoic acid,alpha-hydroxyphenylacetic acid; amygdalic acid; alpha-hydroxyphenylacetic acid; alpha-hydroxy-benzeneacetic acid PubChem CID: 10276 IUPAC Name: 2,4,5-trimethoxybenzoate SMILES: COC1=CC(OC)=C(C=C1OC)C([O-])=O
| PubChem CID | 10276 |
|---|---|
| CAS | 490-64-2 |
| Molecular Weight (g/mol) | 211.19 |
| MDL Number | MFCD00002435 |
| SMILES | COC1=CC(OC)=C(C=C1OC)C([O-])=O |
| Synonym | asaronic acid,benzoic acid, 2,4,5-trimethoxy,asarylic acid,calamonic acid,acmc-209ket,2,4,5-trimethoxybenzoicacid,ksc489o7d,2,4,5-trimethoxy-benzoic acid,2,4,5-trimethoxybenzoic acid,alpha-hydroxyphenylacetic acid; amygdalic acid; alpha-hydroxyphenylacetic acid; alpha-hydroxy-benzeneacetic acid |
| IUPAC Name | 2,4,5-trimethoxybenzoate |
| InChI Key | KVZUCOGWKYOPID-UHFFFAOYSA-M |
| Molecular Formula | C10H11O5 |
1-(5-Fluoro-2,4-dinitrophenyl)-4-methylpiperazine 98.0+%, TCI America™
CAS: 928830-73-3 Molecular Formula: C11H13FN4O4 Molecular Weight (g/mol): 284.25 MDL Number: MFCD10000959 InChI Key: SSBAFRIGYXRBRK-UHFFFAOYSA-N Synonym: PPZ PubChem CID: 16223480 IUPAC Name: 1-(5-fluoro-2,4-dinitrophenyl)-4-methylpiperazine SMILES: CN1CCN(CC1)C1=CC(F)=C(C=C1[N+]([O-])=O)[N+]([O-])=O
| PubChem CID | 16223480 |
|---|---|
| CAS | 928830-73-3 |
| Molecular Weight (g/mol) | 284.25 |
| MDL Number | MFCD10000959 |
| SMILES | CN1CCN(CC1)C1=CC(F)=C(C=C1[N+]([O-])=O)[N+]([O-])=O |
| Synonym | PPZ |
| IUPAC Name | 1-(5-fluoro-2,4-dinitrophenyl)-4-methylpiperazine |
| InChI Key | SSBAFRIGYXRBRK-UHFFFAOYSA-N |
| Molecular Formula | C11H13FN4O4 |
2,3,4-Trifluorotoluene 97.0+%, TCI America™
CAS: 193533-92-5 Molecular Formula: C7H5F3 Molecular Weight (g/mol): 146.112 MDL Number: MFCD00075194 InChI Key: LRQPEHJWTXCLQY-UHFFFAOYSA-N PubChem CID: 2777991 IUPAC Name: 1,2,3-trifluoro-4-methylbenzene SMILES: CC1=C(C(=C(C=C1)F)F)F
| PubChem CID | 2777991 |
|---|---|
| CAS | 193533-92-5 |
| Molecular Weight (g/mol) | 146.112 |
| MDL Number | MFCD00075194 |
| SMILES | CC1=C(C(=C(C=C1)F)F)F |
| IUPAC Name | 1,2,3-trifluoro-4-methylbenzene |
| InChI Key | LRQPEHJWTXCLQY-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3 |
2,5-Dibromo-1,3-difluorobenzene 98.0+%, TCI America™
CAS: 128259-71-2 Molecular Formula: C6H2Br2F2 Molecular Weight (g/mol): 271.887 MDL Number: MFCD07783665 InChI Key: OCUXAWVQPORIBP-UHFFFAOYSA-N PubChem CID: 24721227 IUPAC Name: 2,5-dibromo-1,3-difluorobenzene SMILES: C1=C(C=C(C(=C1F)Br)F)Br
| PubChem CID | 24721227 |
|---|---|
| CAS | 128259-71-2 |
| Molecular Weight (g/mol) | 271.887 |
| MDL Number | MFCD07783665 |
| SMILES | C1=C(C=C(C(=C1F)Br)F)Br |
| IUPAC Name | 2,5-dibromo-1,3-difluorobenzene |
| InChI Key | OCUXAWVQPORIBP-UHFFFAOYSA-N |
| Molecular Formula | C6H2Br2F2 |
2-Fluorophenyl Isocyanate 97.0+%, TCI America™
CAS: 16744-98-2 Molecular Formula: C7H4FNO Molecular Weight (g/mol): 137.113 MDL Number: MFCD00001996 InChI Key: VZNCSZQPNIEEMN-UHFFFAOYSA-N Synonym: 2-fluorophenyl isocyanate,o-fluorophenyl isocyanate,2-fluorophenylisocyanate,benzene, 1-fluoro-2-isocyanato,isocyanic acid 2-fluorophenyl ester,2-fluorobenzenisocyanate,paragos 331045,labotest-bb ltbb005297,pubchem4455,2-flurophenylisocyanate PubChem CID: 85588 IUPAC Name: 1-fluoro-2-isocyanatobenzene SMILES: C1=CC=C(C(=C1)N=C=O)F
| PubChem CID | 85588 |
|---|---|
| CAS | 16744-98-2 |
| Molecular Weight (g/mol) | 137.113 |
| MDL Number | MFCD00001996 |
| SMILES | C1=CC=C(C(=C1)N=C=O)F |
| Synonym | 2-fluorophenyl isocyanate,o-fluorophenyl isocyanate,2-fluorophenylisocyanate,benzene, 1-fluoro-2-isocyanato,isocyanic acid 2-fluorophenyl ester,2-fluorobenzenisocyanate,paragos 331045,labotest-bb ltbb005297,pubchem4455,2-flurophenylisocyanate |
| IUPAC Name | 1-fluoro-2-isocyanatobenzene |
| InChI Key | VZNCSZQPNIEEMN-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO |
2-Fluoro-1,4-dimethoxybenzene 97.0+%, TCI America™
CAS: 82830-49-7 Molecular Formula: C8H9FO2 Molecular Weight (g/mol): 156.156 MDL Number: MFCD00042487 InChI Key: WNCYZVMZKSOPMU-UHFFFAOYSA-N Synonym: 1,4-dimethoxy-2-fluorobenzene,2,5-dimethoxyfluorobenzene,2,5-dimethoxy-1-fluorobenzene,benzene, 2-fluoro-1,4-dimethoxy,pubchem3050,acmc-209pql,3-fluoro-1,4-dimethoxybenzene,benzene,2-fluoro-1,4-dimethoxy,2-fluoranyl-1,4-dimethoxy-benzene,2-fluorohydroquinone dimethyl ether PubChem CID: 145002 IUPAC Name: 2-fluoro-1,4-dimethoxybenzene SMILES: COC1=CC(=C(C=C1)OC)F
| PubChem CID | 145002 |
|---|---|
| CAS | 82830-49-7 |
| Molecular Weight (g/mol) | 156.156 |
| MDL Number | MFCD00042487 |
| SMILES | COC1=CC(=C(C=C1)OC)F |
| Synonym | 1,4-dimethoxy-2-fluorobenzene,2,5-dimethoxyfluorobenzene,2,5-dimethoxy-1-fluorobenzene,benzene, 2-fluoro-1,4-dimethoxy,pubchem3050,acmc-209pql,3-fluoro-1,4-dimethoxybenzene,benzene,2-fluoro-1,4-dimethoxy,2-fluoranyl-1,4-dimethoxy-benzene,2-fluorohydroquinone dimethyl ether |
| IUPAC Name | 2-fluoro-1,4-dimethoxybenzene |
| InChI Key | WNCYZVMZKSOPMU-UHFFFAOYSA-N |
| Molecular Formula | C8H9FO2 |
3,5-Difluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 156545-07-2 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.911 MDL Number: MFCD01318138 InChI Key: QWQBQRYFWNIDOC-UHFFFAOYSA-N Synonym: 3,5-difluorobenzeneboronic acid,3,5-difluorophenyl boronic acid,3,5-difluorophenyl boranediol,3,5-difluoro phenylboric acid,boronic acid, 3,5-difluorophenyl,3,5-difluorophenyl dihydroxyborane,3,5-difluoro phenylboronic acid,boronic acid, b-3,5-difluorophenyl,3,5-difluorophenylbornic acid PubChem CID: 2734338 IUPAC Name: (3,5-difluorophenyl)boronic acid SMILES: B(C1=CC(=CC(=C1)F)F)(O)O
| PubChem CID | 2734338 |
|---|---|
| CAS | 156545-07-2 |
| Molecular Weight (g/mol) | 157.911 |
| MDL Number | MFCD01318138 |
| SMILES | B(C1=CC(=CC(=C1)F)F)(O)O |
| Synonym | 3,5-difluorobenzeneboronic acid,3,5-difluorophenyl boronic acid,3,5-difluorophenyl boranediol,3,5-difluoro phenylboric acid,boronic acid, 3,5-difluorophenyl,3,5-difluorophenyl dihydroxyborane,3,5-difluoro phenylboronic acid,boronic acid, b-3,5-difluorophenyl,3,5-difluorophenylbornic acid |
| IUPAC Name | (3,5-difluorophenyl)boronic acid |
| InChI Key | QWQBQRYFWNIDOC-UHFFFAOYSA-N |
| Molecular Formula | C6H5BF2O2 |
4-Amino-4'-chlorodiphenyl Ether 98.0+%, TCI America™
CAS: 101-79-1 Molecular Formula: C12H10ClNO Molecular Weight (g/mol): 219.67 MDL Number: MFCD00043925 InChI Key: YTISFYMPVILQRL-UHFFFAOYSA-N Synonym: 4-4-chlorophenoxy aniline,4-amino-4'-chlorodiphenyl ether,benzenamine, 4-4-chlorophenoxy,p-p-chlorophenoxy aniline,4-4-chlorophenoxy benzenamine,4-chloro-4'-aminodiphenyl ether,aniline, p-chlorophenoxy,4-amino-4-chlorodiphenyl ether,4'-chloro-4-aminobiphenyl ether,aniline, p-p-chlorophenoxy PubChem CID: 7578 IUPAC Name: 4-(4-chlorophenoxy)aniline SMILES: NC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1
| PubChem CID | 7578 |
|---|---|
| CAS | 101-79-1 |
| Molecular Weight (g/mol) | 219.67 |
| MDL Number | MFCD00043925 |
| SMILES | NC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1 |
| Synonym | 4-4-chlorophenoxy aniline,4-amino-4'-chlorodiphenyl ether,benzenamine, 4-4-chlorophenoxy,p-p-chlorophenoxy aniline,4-4-chlorophenoxy benzenamine,4-chloro-4'-aminodiphenyl ether,aniline, p-chlorophenoxy,4-amino-4-chlorodiphenyl ether,4'-chloro-4-aminobiphenyl ether,aniline, p-p-chlorophenoxy |
| IUPAC Name | 4-(4-chlorophenoxy)aniline |
| InChI Key | YTISFYMPVILQRL-UHFFFAOYSA-N |
| Molecular Formula | C12H10ClNO |
3-Phenoxybenzyl Alcohol, TCI America™
CAS: 13826-35-2 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.237 MDL Number: MFCD00004636 InChI Key: KGANAERDZBAECK-UHFFFAOYSA-N Synonym: 3-phenoxybenzyl alcohol,3-phenoxyphenyl methanol,3-phenoxybenzylalcohol,m-phenoxybenzyl alcohol,3-phenoxybenzenemethanol,benzenemethanol, 3-phenoxy,3-hydroxymethyl diphenyl ether,3-phenoxybenzylic alcohol,benzyl alcohol, m-phenoxy,3-pboh PubChem CID: 26295 ChEBI: CHEBI:62527 IUPAC Name: (3-phenoxyphenyl)methanol SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)CO
| PubChem CID | 26295 |
|---|---|
| CAS | 13826-35-2 |
| Molecular Weight (g/mol) | 200.237 |
| ChEBI | CHEBI:62527 |
| MDL Number | MFCD00004636 |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)CO |
| Synonym | 3-phenoxybenzyl alcohol,3-phenoxyphenyl methanol,3-phenoxybenzylalcohol,m-phenoxybenzyl alcohol,3-phenoxybenzenemethanol,benzenemethanol, 3-phenoxy,3-hydroxymethyl diphenyl ether,3-phenoxybenzylic alcohol,benzyl alcohol, m-phenoxy,3-pboh |
| IUPAC Name | (3-phenoxyphenyl)methanol |
| InChI Key | KGANAERDZBAECK-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
2-(Trifluoromethyl)benzenesulfonamide 98.0+%, TCI America™
CAS: 1869-24-5 Molecular Formula: C7H6F3NO2S Molecular Weight (g/mol): 225.185 MDL Number: MFCD00042420 InChI Key: AFFPZJFLSDVZBV-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzenesulfonamide,2-trifluoromethyl benzene-1-sulfonamide,2-trifluoromethyl benzenesulphonamide,o-trifluoromethylbenzenesulfonamide,benzenesulfonamide, 2-trifluoromethyl,pubchem11781,acmc-20a48s,ksc174g3h,2-trifluoromethylbenzenesul fonamide PubChem CID: 2778018 IUPAC Name: 2-(trifluoromethyl)benzenesulfonamide SMILES: C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)N
| PubChem CID | 2778018 |
|---|---|
| CAS | 1869-24-5 |
| Molecular Weight (g/mol) | 225.185 |
| MDL Number | MFCD00042420 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)N |
| Synonym | 2-trifluoromethyl benzenesulfonamide,2-trifluoromethyl benzene-1-sulfonamide,2-trifluoromethyl benzenesulphonamide,o-trifluoromethylbenzenesulfonamide,benzenesulfonamide, 2-trifluoromethyl,pubchem11781,acmc-20a48s,ksc174g3h,2-trifluoromethylbenzenesul fonamide |
| IUPAC Name | 2-(trifluoromethyl)benzenesulfonamide |
| InChI Key | AFFPZJFLSDVZBV-UHFFFAOYSA-N |
| Molecular Formula | C7H6F3NO2S |
N-Carbobenzoxy-2-nitrobenzenesulfonamide 98.0+%, TCI America™
CAS: 245365-64-4 Molecular Formula: C14H12N2O6S Molecular Weight (g/mol): 336.318 MDL Number: MFCD06797080 InChI Key: BFQXFHUTPNBFSR-UHFFFAOYSA-N Synonym: N-Cbz-2-nitrobenzenesulfonamide PubChem CID: 10980593 IUPAC Name: benzyl N-(2-nitrophenyl)sulfonylcarbamate SMILES: C1=CC=C(C=C1)COC(=O)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]
| PubChem CID | 10980593 |
|---|---|
| CAS | 245365-64-4 |
| Molecular Weight (g/mol) | 336.318 |
| MDL Number | MFCD06797080 |
| SMILES | C1=CC=C(C=C1)COC(=O)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] |
| Synonym | N-Cbz-2-nitrobenzenesulfonamide |
| IUPAC Name | benzyl N-(2-nitrophenyl)sulfonylcarbamate |
| InChI Key | BFQXFHUTPNBFSR-UHFFFAOYSA-N |
| Molecular Formula | C14H12N2O6S |
Phthalylsulfathiazole 95.0+%, TCI America™
CAS: 85-73-4 Molecular Formula: C17H13N3O5S2 Molecular Weight (g/mol): 403.427 MDL Number: MFCD00005318 InChI Key: PBMSWVPMRUJMPE-UHFFFAOYSA-N PubChem CID: 4806 ChEBI: CHEBI:9336 IUPAC Name: 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O
| PubChem CID | 4806 |
|---|---|
| CAS | 85-73-4 |
| Molecular Weight (g/mol) | 403.427 |
| ChEBI | CHEBI:9336 |
| MDL Number | MFCD00005318 |
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O |
| IUPAC Name | 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid |
| InChI Key | PBMSWVPMRUJMPE-UHFFFAOYSA-N |
| Molecular Formula | C17H13N3O5S2 |
3-Fluoro-4-(trifluoromethyl)benzoic Acid 98.0+%, TCI America™
CAS: 115754-21-7 Molecular Formula: C8H4F4O2 Molecular Weight (g/mol): 208.112 MDL Number: MFCD00236279 InChI Key: HRIHSNPFVGMAKX-UHFFFAOYSA-N Synonym: 3-fluoro-4-trifluoromethyl benzoic acid,benzoic acid, 3-fluoro-4-trifluoromethyl,alpha,alpha,alpha,3-tetrafluoro-p-toluic acid,pubchem4970,acmc-1c70e,ksc179k4t,3-fluoro-4 trifluoromethyl benzoic acid,3-fluoro-4-trifluoromethyl-benzoic acid,3-fluoro-4-trifluoromethyl benzoicacid,3-fluoro-4-trifluoromethyl benzoic aicd PubChem CID: 688293 IUPAC Name: 3-fluoro-4-(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)F)C(F)(F)F
| PubChem CID | 688293 |
|---|---|
| CAS | 115754-21-7 |
| Molecular Weight (g/mol) | 208.112 |
| MDL Number | MFCD00236279 |
| SMILES | C1=CC(=C(C=C1C(=O)O)F)C(F)(F)F |
| Synonym | 3-fluoro-4-trifluoromethyl benzoic acid,benzoic acid, 3-fluoro-4-trifluoromethyl,alpha,alpha,alpha,3-tetrafluoro-p-toluic acid,pubchem4970,acmc-1c70e,ksc179k4t,3-fluoro-4 trifluoromethyl benzoic acid,3-fluoro-4-trifluoromethyl-benzoic acid,3-fluoro-4-trifluoromethyl benzoicacid,3-fluoro-4-trifluoromethyl benzoic aicd |
| IUPAC Name | 3-fluoro-4-(trifluoromethyl)benzoic acid |
| InChI Key | HRIHSNPFVGMAKX-UHFFFAOYSA-N |
| Molecular Formula | C8H4F4O2 |
2-Fluoro-5-(trifluoromethyl)phenol 98.0+%, TCI America™
CAS: 141483-15-0 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.10 MDL Number: MFCD00061286 InChI Key: MCOSBFKOUQAIJS-UHFFFAOYSA-N Synonym: 2-fluoro-5-trifluoromethyl phenol,4-fluoro-3-hydroxybenzotrifluoride,2-fluoro-5-trifluoromethyl-phenol,phenol, 2-fluoro-5-trifluoromethyl,alpha,alpha,alpha,6-tetrafluoro-m-cresol,pubchem4145,intermediates-zcf02079,acmc-1c6g6,ksc495m9p,5-trifluoromethyl-2-fluorophenol PubChem CID: 518888 IUPAC Name: 2-fluoro-5-(trifluoromethyl)phenol SMILES: OC1=CC(=CC=C1F)C(F)(F)F
| PubChem CID | 518888 |
|---|---|
| CAS | 141483-15-0 |
| Molecular Weight (g/mol) | 180.10 |
| MDL Number | MFCD00061286 |
| SMILES | OC1=CC(=CC=C1F)C(F)(F)F |
| Synonym | 2-fluoro-5-trifluoromethyl phenol,4-fluoro-3-hydroxybenzotrifluoride,2-fluoro-5-trifluoromethyl-phenol,phenol, 2-fluoro-5-trifluoromethyl,alpha,alpha,alpha,6-tetrafluoro-m-cresol,pubchem4145,intermediates-zcf02079,acmc-1c6g6,ksc495m9p,5-trifluoromethyl-2-fluorophenol |
| IUPAC Name | 2-fluoro-5-(trifluoromethyl)phenol |
| InChI Key | MCOSBFKOUQAIJS-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4O |
2-Bromobenzotrifluoride 98.0+%, TCI America™
CAS: 392-83-6 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 MDL Number: MFCD00000373 InChI Key: RWXUNIMBRXGNEP-UHFFFAOYSA-N Synonym: 2-bromobenzotrifluoride,1-bromo-2-trifluoromethyl benzene,o-bromobenzotrifluoride,benzene, 1-bromo-2-trifluoromethyl,2-bromo-alpha,alpha,alpha-trifluorotoluene,2-brombenzotrifluorid,o-bromobenzyltrifluoride,o-trifluoromethyl bromobenzene,2-bromotrifluorotoluene,2-brombenzotrifluorid czech PubChem CID: 9806 IUPAC Name: 1-bromo-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)Br
| PubChem CID | 9806 |
|---|---|
| CAS | 392-83-6 |
| Molecular Weight (g/mol) | 225.008 |
| MDL Number | MFCD00000373 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)Br |
| Synonym | 2-bromobenzotrifluoride,1-bromo-2-trifluoromethyl benzene,o-bromobenzotrifluoride,benzene, 1-bromo-2-trifluoromethyl,2-bromo-alpha,alpha,alpha-trifluorotoluene,2-brombenzotrifluorid,o-bromobenzyltrifluoride,o-trifluoromethyl bromobenzene,2-bromotrifluorotoluene,2-brombenzotrifluorid czech |
| IUPAC Name | 1-bromo-2-(trifluoromethyl)benzene |
| InChI Key | RWXUNIMBRXGNEP-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3 |