Benzene and substituted derivatives
Filtered Search Results
4-Chloro-3-(trifluoromethyl)benzonitrile 98.0+%, TCI America™
CAS: 1735-54-2 Molecular Formula: C8H3ClF3N Molecular Weight (g/mol): 205.564 MDL Number: MFCD00190117 InChI Key: VBPYHJRQZZCFCW-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl benzonitrile,2-chloro-5-cyanobenzotrifluoride,3-trifluoromethyl-4-chlorobenzonitrile,benzonitrile, 4-chloro-3-trifluoromethyl,4-chloro-3-trifluoromethyl benzenecarbonitrile,pubchem8192,ksc494o5b,4-chloro-3-trifluoromethyl-benzonitrile PubChem CID: 2736474 IUPAC Name: 4-chloro-3-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1C#N)C(F)(F)F)Cl
| PubChem CID | 2736474 |
|---|---|
| CAS | 1735-54-2 |
| Molecular Weight (g/mol) | 205.564 |
| MDL Number | MFCD00190117 |
| SMILES | C1=CC(=C(C=C1C#N)C(F)(F)F)Cl |
| Synonym | 4-chloro-3-trifluoromethyl benzonitrile,2-chloro-5-cyanobenzotrifluoride,3-trifluoromethyl-4-chlorobenzonitrile,benzonitrile, 4-chloro-3-trifluoromethyl,4-chloro-3-trifluoromethyl benzenecarbonitrile,pubchem8192,ksc494o5b,4-chloro-3-trifluoromethyl-benzonitrile |
| IUPAC Name | 4-chloro-3-(trifluoromethyl)benzonitrile |
| InChI Key | VBPYHJRQZZCFCW-UHFFFAOYSA-N |
| Molecular Formula | C8H3ClF3N |
3,4-Dinitrobenzoic Acid 98.0+%, TCI America™
CAS: 528-45-0 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007255 InChI Key: OMVRRHJJQILIJX-UHFFFAOYSA-N Synonym: 3,4-dinitrobenzoic acid,benzoic acid, 3,4-dinitro,unii-0l3n4t0gpd,ccris 3128,3,4-dinitrobenzioc acid,0l3n4t0gpd,3,4-dinitrobenzoate,3,4-di-nitro-benzoic acid,zlchem 522,pubchem4956 PubChem CID: 10709 IUPAC Name: 3,4-dinitrobenzoic acid SMILES: OC(=O)C1=CC=C(C(=C1)[N+]([O-])=O)[N+]([O-])=O
| PubChem CID | 10709 |
|---|---|
| CAS | 528-45-0 |
| Molecular Weight (g/mol) | 212.12 |
| MDL Number | MFCD00007255 |
| SMILES | OC(=O)C1=CC=C(C(=C1)[N+]([O-])=O)[N+]([O-])=O |
| Synonym | 3,4-dinitrobenzoic acid,benzoic acid, 3,4-dinitro,unii-0l3n4t0gpd,ccris 3128,3,4-dinitrobenzioc acid,0l3n4t0gpd,3,4-dinitrobenzoate,3,4-di-nitro-benzoic acid,zlchem 522,pubchem4956 |
| IUPAC Name | 3,4-dinitrobenzoic acid |
| InChI Key | OMVRRHJJQILIJX-UHFFFAOYSA-N |
| Molecular Formula | C7H4N2O6 |
Methyl 5-Methylsalicylate 96.0+%, TCI America™
CAS: 22717-57-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00016485 InChI Key: JQYUQKRFSSSGJM-UHFFFAOYSA-N Synonym: methyl 5-methylsalicylate,benzoic acid, 2-hydroxy-5-methyl-, methyl ester,2-hydroxy-5-methylbenzoic acid methyl ester,methyl-5-methylsalicylate,2,5-cresotic acid, methyl ester,methyl 5-methyl salicylate,p-cresotic acid methyl ester,5-methylsalicylic acid methyl ester,methyl 2-hydroxy-5-methyl-benzoate,6-hydroxy-m-toluic acid methyl ester PubChem CID: 89802 IUPAC Name: methyl 2-hydroxy-5-methylbenzoate SMILES: CC1=CC(=C(C=C1)O)C(=O)OC
| PubChem CID | 89802 |
|---|---|
| CAS | 22717-57-3 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00016485 |
| SMILES | CC1=CC(=C(C=C1)O)C(=O)OC |
| Synonym | methyl 5-methylsalicylate,benzoic acid, 2-hydroxy-5-methyl-, methyl ester,2-hydroxy-5-methylbenzoic acid methyl ester,methyl-5-methylsalicylate,2,5-cresotic acid, methyl ester,methyl 5-methyl salicylate,p-cresotic acid methyl ester,5-methylsalicylic acid methyl ester,methyl 2-hydroxy-5-methyl-benzoate,6-hydroxy-m-toluic acid methyl ester |
| IUPAC Name | methyl 2-hydroxy-5-methylbenzoate |
| InChI Key | JQYUQKRFSSSGJM-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Heptyl 4-Hydroxybenzoate 98.0+%, TCI America™
CAS: 1085-12-7 Molecular Formula: C14H20O3 Molecular Weight (g/mol): 236.31 MDL Number: MFCD00016481 InChI Key: ZTJORNVITHUQJA-UHFFFAOYSA-N Synonym: heptylparaben,heptyl paraben,heptyl p-hydroxybenzoate,n-heptyl 4-hydroxybenzoate,nipaheptyl,staypro ws 7,n-heptyl p-hydroxybenzoate,benzoic acid, 4-hydroxy-, heptyl ester,p-hydroxybenzoic acid heptyl ester,p-oxybenzoesaureheptylester PubChem CID: 14138 ChEBI: CHEBI:34788 IUPAC Name: heptyl 4-hydroxybenzoate SMILES: CCCCCCCOC(=O)C1=CC=C(O)C=C1
| PubChem CID | 14138 |
|---|---|
| CAS | 1085-12-7 |
| Molecular Weight (g/mol) | 236.31 |
| ChEBI | CHEBI:34788 |
| MDL Number | MFCD00016481 |
| SMILES | CCCCCCCOC(=O)C1=CC=C(O)C=C1 |
| Synonym | heptylparaben,heptyl paraben,heptyl p-hydroxybenzoate,n-heptyl 4-hydroxybenzoate,nipaheptyl,staypro ws 7,n-heptyl p-hydroxybenzoate,benzoic acid, 4-hydroxy-, heptyl ester,p-hydroxybenzoic acid heptyl ester,p-oxybenzoesaureheptylester |
| IUPAC Name | heptyl 4-hydroxybenzoate |
| InChI Key | ZTJORNVITHUQJA-UHFFFAOYSA-N |
| Molecular Formula | C14H20O3 |
4-Cyano-4'-pentylbiphenyl 98.0+%, TCI America™
CAS: 40817-08-1 Molecular Formula: C18H19N Molecular Weight (g/mol): 249.357 MDL Number: MFCD00036350 InChI Key: HHPCNRKYVYWYAU-UHFFFAOYSA-N Synonym: 4-cyano-4'-pentylbiphenyl,4'-pentyl-1,1'-biphenyl-4-carbonitrile,4-cyano-4'-n-pentylbiphenyl,1,1'-biphenyl-4-carbonitrile, 4'-pentyl,4'-pentyl-4-biphenylcarbonitrile,4-pentyl-4'-cyanobiphenyl,4'-amyl-4-biphenylcarbonitrile,4'-pentylbiphenyl-4-carbonitrile,4-amyl-4'-cyanobiphenyl,4-n-pentyl-4'-cyanobiphenyl PubChem CID: 92319 IUPAC Name: 4-(4-pentylphenyl)benzonitrile SMILES: CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
| PubChem CID | 92319 |
|---|---|
| CAS | 40817-08-1 |
| Molecular Weight (g/mol) | 249.357 |
| MDL Number | MFCD00036350 |
| SMILES | CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| Synonym | 4-cyano-4'-pentylbiphenyl,4'-pentyl-1,1'-biphenyl-4-carbonitrile,4-cyano-4'-n-pentylbiphenyl,1,1'-biphenyl-4-carbonitrile, 4'-pentyl,4'-pentyl-4-biphenylcarbonitrile,4-pentyl-4'-cyanobiphenyl,4'-amyl-4-biphenylcarbonitrile,4'-pentylbiphenyl-4-carbonitrile,4-amyl-4'-cyanobiphenyl,4-n-pentyl-4'-cyanobiphenyl |
| IUPAC Name | 4-(4-pentylphenyl)benzonitrile |
| InChI Key | HHPCNRKYVYWYAU-UHFFFAOYSA-N |
| Molecular Formula | C18H19N |
1,1,1',1'-Tetramethyl-4,4'-(methylenedi-p-phenylene)disemicarbazide 95.0+%, TCI America™
CAS: 85095-61-0 Molecular Formula: C19H26N6O2 Molecular Weight (g/mol): 370.457 MDL Number: MFCD00525631 InChI Key: AQABZFKTYXFIJF-UHFFFAOYSA-N Synonym: Bis[4-[3-(dimethylamino)ureido]phenyl]methane PubChem CID: 12842685 IUPAC Name: 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea SMILES: CN(C)NC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NN(C)C
| PubChem CID | 12842685 |
|---|---|
| CAS | 85095-61-0 |
| Molecular Weight (g/mol) | 370.457 |
| MDL Number | MFCD00525631 |
| SMILES | CN(C)NC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NN(C)C |
| Synonym | Bis[4-[3-(dimethylamino)ureido]phenyl]methane |
| IUPAC Name | 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea |
| InChI Key | AQABZFKTYXFIJF-UHFFFAOYSA-N |
| Molecular Formula | C19H26N6O2 |
2-Phenylphenol Sodium Salt Tetrahydrate 80.0+%, TCI America™
CAS: 132-27-4 Molecular Formula: C12H9NaO Molecular Weight (g/mol): 192.193 MDL Number: MFCD00002209 InChI Key: KSQXVLVXUFHGJQ-UHFFFAOYSA-M Synonym: sodium 1,1'-biphenyl-2-olate,sodium 2-biphenylate,sodium o-phenylphenate,2-phenylphenol sodium salt,natriphene,orphenol,bactrol,o-phenylphenol sodium,sodium o-phenylphenol,dowicide a PubChem CID: 23675735 ChEBI: CHEBI:82371 IUPAC Name: sodium;2-phenylphenolate SMILES: C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+]
| PubChem CID | 23675735 |
|---|---|
| CAS | 132-27-4 |
| Molecular Weight (g/mol) | 192.193 |
| ChEBI | CHEBI:82371 |
| MDL Number | MFCD00002209 |
| SMILES | C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+] |
| Synonym | sodium 1,1'-biphenyl-2-olate,sodium 2-biphenylate,sodium o-phenylphenate,2-phenylphenol sodium salt,natriphene,orphenol,bactrol,o-phenylphenol sodium,sodium o-phenylphenol,dowicide a |
| IUPAC Name | sodium;2-phenylphenolate |
| InChI Key | KSQXVLVXUFHGJQ-UHFFFAOYSA-M |
| Molecular Formula | C12H9NaO |
Diethyl 2,5-Dibromoterephthalate 98.0+%, TCI America™
CAS: 18013-97-3 Molecular Formula: C12H12Br2O4 Molecular Weight (g/mol): 380.032 MDL Number: MFCD12407163 InChI Key: WXRSDHICEYICMV-UHFFFAOYSA-N Synonym: 2,5-Dibromoterephthalic Acid Diethyl Ester PubChem CID: 22146229 IUPAC Name: diethyl 2,5-dibromobenzene-1,4-dicarboxylate SMILES: CCOC(=O)C1=CC(=C(C=C1Br)C(=O)OCC)Br
| PubChem CID | 22146229 |
|---|---|
| CAS | 18013-97-3 |
| Molecular Weight (g/mol) | 380.032 |
| MDL Number | MFCD12407163 |
| SMILES | CCOC(=O)C1=CC(=C(C=C1Br)C(=O)OCC)Br |
| Synonym | 2,5-Dibromoterephthalic Acid Diethyl Ester |
| IUPAC Name | diethyl 2,5-dibromobenzene-1,4-dicarboxylate |
| InChI Key | WXRSDHICEYICMV-UHFFFAOYSA-N |
| Molecular Formula | C12H12Br2O4 |
2-Chloro-5-methoxyaniline Hydrochloride 98.0+%, TCI America™
CAS: 85006-21-9 Molecular Formula: C7H9Cl2NO Molecular Weight (g/mol): 194.06 MDL Number: MFCD00012962 InChI Key: NQWBPXKJBZYGHZ-UHFFFAOYSA-N Synonym: 2-chloro-5-methoxyaniline hydrochloride,3-amino-4-chloroanisole hydrochloride,6-chloro-m-anisidine hydrochloride,2-chloro-5-methoxyaniline hcl,6-chloro-meta-anisidine hydrochloride,2-chloro-5-methoxyanilinehydrochloride,benzenamine, 2-chloro-5-methoxy-, hydrochloride,timtec-bb sbb008038,pubchem3658,pubchem3660 PubChem CID: 2723900 IUPAC Name: 2-chloro-5-methoxyanilinium chloride SMILES: [Cl-].COC1=CC=C(Cl)C([NH3+])=C1
| PubChem CID | 2723900 |
|---|---|
| CAS | 85006-21-9 |
| Molecular Weight (g/mol) | 194.06 |
| MDL Number | MFCD00012962 |
| SMILES | [Cl-].COC1=CC=C(Cl)C([NH3+])=C1 |
| Synonym | 2-chloro-5-methoxyaniline hydrochloride,3-amino-4-chloroanisole hydrochloride,6-chloro-m-anisidine hydrochloride,2-chloro-5-methoxyaniline hcl,6-chloro-meta-anisidine hydrochloride,2-chloro-5-methoxyanilinehydrochloride,benzenamine, 2-chloro-5-methoxy-, hydrochloride,timtec-bb sbb008038,pubchem3658,pubchem3660 |
| IUPAC Name | 2-chloro-5-methoxyanilinium chloride |
| InChI Key | NQWBPXKJBZYGHZ-UHFFFAOYSA-N |
| Molecular Formula | C7H9Cl2NO |
2-(Trifluoromethyl)benzal Chloride, TCI America™
CAS: 707-72-2 Molecular Formula: C8H5Cl2F3 Molecular Weight (g/mol): 229.02 MDL Number: MFCD00077613 InChI Key: JIJFXGFHPXLJME-UHFFFAOYSA-N PubChem CID: 606399 IUPAC Name: 1-(dichloromethyl)-2-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=CC=C1C(Cl)Cl
| PubChem CID | 606399 |
|---|---|
| CAS | 707-72-2 |
| Molecular Weight (g/mol) | 229.02 |
| MDL Number | MFCD00077613 |
| SMILES | FC(F)(F)C1=CC=CC=C1C(Cl)Cl |
| IUPAC Name | 1-(dichloromethyl)-2-(trifluoromethyl)benzene |
| InChI Key | JIJFXGFHPXLJME-UHFFFAOYSA-N |
| Molecular Formula | C8H5Cl2F3 |
1,1-Diphenyl-2-thiourea 98.0+%, TCI America™
CAS: 3898-08-6 Molecular Formula: C13H12N2S Molecular Weight (g/mol): 228.31 MDL Number: MFCD00059151 InChI Key: FPZXQVCYHDMIIA-UHFFFAOYSA-N Synonym: N,N-Diphenylthiourea PubChem CID: 3034143 IUPAC Name: 1,1-diphenylthiourea SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)N
| PubChem CID | 3034143 |
|---|---|
| CAS | 3898-08-6 |
| Molecular Weight (g/mol) | 228.31 |
| MDL Number | MFCD00059151 |
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)N |
| Synonym | N,N-Diphenylthiourea |
| IUPAC Name | 1,1-diphenylthiourea |
| InChI Key | FPZXQVCYHDMIIA-UHFFFAOYSA-N |
| Molecular Formula | C13H12N2S |
Diphenyl Oxalate 98.0+%, TCI America™
CAS: 3155-16-6 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00059682 InChI Key: ULOZDEVJRTYKFE-UHFFFAOYSA-N Synonym: Oxalic Acid Diphenyl Ester PubChem CID: 18475 IUPAC Name: diphenyl oxalate SMILES: C1=CC=C(C=C1)OC(=O)C(=O)OC2=CC=CC=C2
| PubChem CID | 18475 |
|---|---|
| CAS | 3155-16-6 |
| Molecular Weight (g/mol) | 242.23 |
| MDL Number | MFCD00059682 |
| SMILES | C1=CC=C(C=C1)OC(=O)C(=O)OC2=CC=CC=C2 |
| Synonym | Oxalic Acid Diphenyl Ester |
| IUPAC Name | diphenyl oxalate |
| InChI Key | ULOZDEVJRTYKFE-UHFFFAOYSA-N |
| Molecular Formula | C14H10O4 |
2-Chlorobenzenesulfonamide 98.0+%, TCI America™
CAS: 6961-82-6 Molecular Formula: C6H6ClNO2S Molecular Weight (g/mol): 191.629 InChI Key: JCCBZCMSYUSCFM-UHFFFAOYSA-N Synonym: o-chlorobenzenesulfonamide,2-chlorobenzene-1-sulfonamide,benzenesulfonamide, 2-chloro,unii-4bt2i28a0c,benzenesulfonamide, o-chloro,2-chlorobenzenesulphonamide,2-chloro-benzenesulfonamide,chlorobenzenesulfonamide,o-chlorobenzenesulphonamide,benzenesulfonamide, chloro PubChem CID: 81410 IUPAC Name: 2-chlorobenzenesulfonamide SMILES: C1=CC=C(C(=C1)S(=O)(=O)N)Cl
| PubChem CID | 81410 |
|---|---|
| CAS | 6961-82-6 |
| Molecular Weight (g/mol) | 191.629 |
| SMILES | C1=CC=C(C(=C1)S(=O)(=O)N)Cl |
| Synonym | o-chlorobenzenesulfonamide,2-chlorobenzene-1-sulfonamide,benzenesulfonamide, 2-chloro,unii-4bt2i28a0c,benzenesulfonamide, o-chloro,2-chlorobenzenesulphonamide,2-chloro-benzenesulfonamide,chlorobenzenesulfonamide,o-chlorobenzenesulphonamide,benzenesulfonamide, chloro |
| IUPAC Name | 2-chlorobenzenesulfonamide |
| InChI Key | JCCBZCMSYUSCFM-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNO2S |
Bromothymol Blue Sodium Salt, TCI America™
CAS: 34722-90-2 Molecular Formula: C27H27Br2NaO5S Molecular Weight (g/mol): 646.37 MDL Number: MFCD00077263,MFCD00077263,MFCD00077263 InChI Key: NMKFVGALBGZKGW-FKWCIMQXSA-M Synonym: cfn0fbc3yh,unii-cfn0fbc3yh,sodium bromothymol blue,bromothymol blue sodium salt,3',3-dibromothymolsulfonephthalein sodium salt,bromthymol blue sodium,phenol, 4,4'-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene bis 2-bromo-3-methyl-6-1-methylethyl-, monosodium salt,phenol, 4,4'-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene bis 2-bromo-3-methyl-6-1-methylethyl-, sodium salt 1:1,bromthymol blue sodium salt,bromothymol blue, sodium salt PubChem CID: 102183223 IUPAC Name: sodium 2-{[(1Z)-3-bromo-2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene][3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]methyl}benzene-1-sulfonate SMILES: [Na+].CC(C)C1=CC(\C(C2=CC=CC=C2S([O-])(=O)=O)=C2/C=C(C(C)C)C(=O)C(Br)=C2C)=C(C)C(Br)=C1O
| PubChem CID | 102183223 |
|---|---|
| CAS | 34722-90-2 |
| Molecular Weight (g/mol) | 646.37 |
| MDL Number | MFCD00077263,MFCD00077263,MFCD00077263 |
| SMILES | [Na+].CC(C)C1=CC(\C(C2=CC=CC=C2S([O-])(=O)=O)=C2/C=C(C(C)C)C(=O)C(Br)=C2C)=C(C)C(Br)=C1O |
| Synonym | cfn0fbc3yh,unii-cfn0fbc3yh,sodium bromothymol blue,bromothymol blue sodium salt,3',3-dibromothymolsulfonephthalein sodium salt,bromthymol blue sodium,phenol, 4,4'-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene bis 2-bromo-3-methyl-6-1-methylethyl-, monosodium salt,phenol, 4,4'-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene bis 2-bromo-3-methyl-6-1-methylethyl-, sodium salt 1:1,bromthymol blue sodium salt,bromothymol blue, sodium salt |
| IUPAC Name | sodium 2-{[(1Z)-3-bromo-2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene][3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]methyl}benzene-1-sulfonate |
| InChI Key | NMKFVGALBGZKGW-FKWCIMQXSA-M |
| Molecular Formula | C27H27Br2NaO5S |
1-Bromo-3,5-dichlorobenzene 98.0+%, TCI America™
CAS: 19752-55-7 Molecular Formula: C6H3BrCl2 Molecular Weight (g/mol): 225.894 MDL Number: MFCD00000584 InChI Key: DZHFFMWJXJBBRG-UHFFFAOYSA-N Synonym: 3,5-dichlorobromobenzene,benzene, 1-bromo-3,5-dichloro,1-bromo-3,5-dichloro-benzene,3,5-dichloro bromobenzene,3,5-dichloro-1-bromobenzene,attercop-chm at113311,maybridge1_000881,pubchem3612,acmc-209f1a PubChem CID: 29766 IUPAC Name: 1-bromo-3,5-dichlorobenzene SMILES: C1=C(C=C(C=C1Cl)Br)Cl
| PubChem CID | 29766 |
|---|---|
| CAS | 19752-55-7 |
| Molecular Weight (g/mol) | 225.894 |
| MDL Number | MFCD00000584 |
| SMILES | C1=C(C=C(C=C1Cl)Br)Cl |
| Synonym | 3,5-dichlorobromobenzene,benzene, 1-bromo-3,5-dichloro,1-bromo-3,5-dichloro-benzene,3,5-dichloro bromobenzene,3,5-dichloro-1-bromobenzene,attercop-chm at113311,maybridge1_000881,pubchem3612,acmc-209f1a |
| IUPAC Name | 1-bromo-3,5-dichlorobenzene |
| InChI Key | DZHFFMWJXJBBRG-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrCl2 |