Benzene and substituted derivatives
Filtered Search Results
3-Trifluoromethylbenzoic anhydride, 97%
CAS: 25753-15-5 Molecular Formula: C16H8F6O3 Molecular Weight (g/mol): 362.23 MDL Number: MFCD09757594 InChI Key: BYLMYFXAIMTZIC-UHFFFAOYSA-N Synonym: 3-trifluoromethylbenzoic anhydride,3-trifluoromethyl benzoic anhydride,benzoic acid, 3-trifluoromethyl-, anhydride,3-trifluoromethyl benzoyl 3-trifluoromethyl benzoate,acmc-1cd8h,3-trifluoromethyl phenyl anhydride #,benzoic acid,3-trifluoromethyl-, anhydride with 3-trifluoromethyl benzoic acid PubChem CID: 599431 IUPAC Name: [3-(trifluoromethyl)benzoyl] 3-(trifluoromethyl)benzoate SMILES: FC(F)(F)C1=CC=CC(=C1)C(=O)OC(=O)C1=CC(=CC=C1)C(F)(F)F
| PubChem CID | 599431 |
|---|---|
| CAS | 25753-15-5 |
| Molecular Weight (g/mol) | 362.23 |
| MDL Number | MFCD09757594 |
| SMILES | FC(F)(F)C1=CC=CC(=C1)C(=O)OC(=O)C1=CC(=CC=C1)C(F)(F)F |
| Synonym | 3-trifluoromethylbenzoic anhydride,3-trifluoromethyl benzoic anhydride,benzoic acid, 3-trifluoromethyl-, anhydride,3-trifluoromethyl benzoyl 3-trifluoromethyl benzoate,acmc-1cd8h,3-trifluoromethyl phenyl anhydride #,benzoic acid,3-trifluoromethyl-, anhydride with 3-trifluoromethyl benzoic acid |
| IUPAC Name | [3-(trifluoromethyl)benzoyl] 3-(trifluoromethyl)benzoate |
| InChI Key | BYLMYFXAIMTZIC-UHFFFAOYSA-N |
| Molecular Formula | C16H8F6O3 |
3,5-Bis(trifluoromethyl)thiobenzamide, 97%
CAS: 317319-15-6 Molecular Formula: C9H5F6NS Molecular Weight (g/mol): 273.20 MDL Number: MFCD00278692 InChI Key: OWYYZIVORPIBPZ-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl thiobenzamide,3,5-di trifluoromethyl benzene-1-carbothioamide,3,5-bis trifluoromethyl benzenecarbothioamide,3,5-bis trifluoromethyl benzothioamide,benzenecarbothioamide,3,5-bis trifluoromethyl,acmc-20ands,maybridge1_003450,3,5-bis-trifluoromethyl-thiobenzamide,3,5-bis trifluoromethyl benzene-1-carbothioamide PubChem CID: 2806924 IUPAC Name: 3,5-bis(trifluoromethyl)benzenecarbothioamide SMILES: NC(=S)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 2806924 |
|---|---|
| CAS | 317319-15-6 |
| Molecular Weight (g/mol) | 273.20 |
| MDL Number | MFCD00278692 |
| SMILES | NC(=S)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl thiobenzamide,3,5-di trifluoromethyl benzene-1-carbothioamide,3,5-bis trifluoromethyl benzenecarbothioamide,3,5-bis trifluoromethyl benzothioamide,benzenecarbothioamide,3,5-bis trifluoromethyl,acmc-20ands,maybridge1_003450,3,5-bis-trifluoromethyl-thiobenzamide,3,5-bis trifluoromethyl benzene-1-carbothioamide |
| IUPAC Name | 3,5-bis(trifluoromethyl)benzenecarbothioamide |
| InChI Key | OWYYZIVORPIBPZ-UHFFFAOYSA-N |
| Molecular Formula | C9H5F6NS |
3-Bromo-2-fluorobenzyl bromide, 97%, Thermo Scientific Chemicals
CAS: 149947-16-0 Molecular Formula: C7H5Br2F Molecular Weight (g/mol): 267.923 MDL Number: MFCD09842442 InChI Key: MGVHFTWDCYIBDO-UHFFFAOYSA-N PubChem CID: 18989440 IUPAC Name: 1-bromo-3-(bromomethyl)-2-fluorobenzene SMILES: C1=CC(=C(C(=C1)Br)F)CBr
| PubChem CID | 18989440 |
|---|---|
| CAS | 149947-16-0 |
| Molecular Weight (g/mol) | 267.923 |
| MDL Number | MFCD09842442 |
| SMILES | C1=CC(=C(C(=C1)Br)F)CBr |
| IUPAC Name | 1-bromo-3-(bromomethyl)-2-fluorobenzene |
| InChI Key | MGVHFTWDCYIBDO-UHFFFAOYSA-N |
| Molecular Formula | C7H5Br2F |
3-Chlorostyrene, 98%, stab. with 0.1% 4-tert-butylcatechol
CAS: 2039-85-2 Molecular Formula: C8H7Cl Molecular Weight (g/mol): 138.594 MDL Number: MFCD00000598 InChI Key: BOVQCIDBZXNFEJ-UHFFFAOYSA-N Synonym: 3-chlorostyrene,1-chloro-3-vinylbenzene,m-chlorostyrene,benzene, 1-chloro-3-ethenyl,styrene, m-chloro,unii-11k8g759hc,1-chloro-3-vinyl-benzene,styrene, 3-chloro,meta-chlorostyrene,zlchem 318 PubChem CID: 14905 IUPAC Name: 1-chloro-3-ethenylbenzene SMILES: C=CC1=CC(=CC=C1)Cl
| PubChem CID | 14905 |
|---|---|
| CAS | 2039-85-2 |
| Molecular Weight (g/mol) | 138.594 |
| MDL Number | MFCD00000598 |
| SMILES | C=CC1=CC(=CC=C1)Cl |
| Synonym | 3-chlorostyrene,1-chloro-3-vinylbenzene,m-chlorostyrene,benzene, 1-chloro-3-ethenyl,styrene, m-chloro,unii-11k8g759hc,1-chloro-3-vinyl-benzene,styrene, 3-chloro,meta-chlorostyrene,zlchem 318 |
| IUPAC Name | 1-chloro-3-ethenylbenzene |
| InChI Key | BOVQCIDBZXNFEJ-UHFFFAOYSA-N |
| Molecular Formula | C8H7Cl |
5-Fluoro-2-methylanisole, 98%
CAS: 95729-22-9 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.157 MDL Number: MFCD00673008 InChI Key: CXTIUQIZWCABPV-UHFFFAOYSA-N Synonym: 5-fluoro-2-methylanisole,4-fluoro-2-methoxytoluene,4-fluoro-2-methoxy-1-methyl-benzene,pubchem2624,1-methyl-2-methoxy-4-fluorobenzene,5-fluoro-2-methylphenyl methyl ether,4-fluoranyl-2-methoxy-1-methyl-benzene,benzene, 4-fluoro-2-methoxy-1-methyl PubChem CID: 2774573 IUPAC Name: 4-fluoro-2-methoxy-1-methylbenzene SMILES: CC1=C(C=C(C=C1)F)OC
| PubChem CID | 2774573 |
|---|---|
| CAS | 95729-22-9 |
| Molecular Weight (g/mol) | 140.157 |
| MDL Number | MFCD00673008 |
| SMILES | CC1=C(C=C(C=C1)F)OC |
| Synonym | 5-fluoro-2-methylanisole,4-fluoro-2-methoxytoluene,4-fluoro-2-methoxy-1-methyl-benzene,pubchem2624,1-methyl-2-methoxy-4-fluorobenzene,5-fluoro-2-methylphenyl methyl ether,4-fluoranyl-2-methoxy-1-methyl-benzene,benzene, 4-fluoro-2-methoxy-1-methyl |
| IUPAC Name | 4-fluoro-2-methoxy-1-methylbenzene |
| InChI Key | CXTIUQIZWCABPV-UHFFFAOYSA-N |
| Molecular Formula | C8H9FO |
alpha,alpha-Dimethylbenzylamine, 96%
CAS: 585-32-0 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00134680 InChI Key: KDFDOINBXBEOLZ-UHFFFAOYSA-N Synonym: cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine PubChem CID: 68509 IUPAC Name: 2-phenylpropan-2-amine SMILES: CC(C)(N)C1=CC=CC=C1
| PubChem CID | 68509 |
|---|---|
| CAS | 585-32-0 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00134680 |
| SMILES | CC(C)(N)C1=CC=CC=C1 |
| Synonym | cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine |
| IUPAC Name | 2-phenylpropan-2-amine |
| InChI Key | KDFDOINBXBEOLZ-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
3,4-Dimethoxytoluene, 98%
CAS: 494-99-5 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00016651 InChI Key: GYPMBQZAVBFUIZ-UHFFFAOYSA-N Synonym: 3,4-dimethoxytoluene,homoveratrole,4-methylveratrole,benzene, 1,2-dimethoxy-4-methyl,4-methylveratrol,4-methyl-1,2-dimethoxybenzene,1,2-dimethoxy-4-methyl-benzene,unii-349x0g2ssf,homoveratrol PubChem CID: 68126 IUPAC Name: 1,2-dimethoxy-4-methylbenzene SMILES: CC1=CC(=C(C=C1)OC)OC
| PubChem CID | 68126 |
|---|---|
| CAS | 494-99-5 |
| Molecular Weight (g/mol) | 152.193 |
| MDL Number | MFCD00016651 |
| SMILES | CC1=CC(=C(C=C1)OC)OC |
| Synonym | 3,4-dimethoxytoluene,homoveratrole,4-methylveratrole,benzene, 1,2-dimethoxy-4-methyl,4-methylveratrol,4-methyl-1,2-dimethoxybenzene,1,2-dimethoxy-4-methyl-benzene,unii-349x0g2ssf,homoveratrol |
| IUPAC Name | 1,2-dimethoxy-4-methylbenzene |
| InChI Key | GYPMBQZAVBFUIZ-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
4-Amino-3-(trifluoromethoxy)benzonitrile, ≥97%, Thermo Scientific™
CAS: 175278-23-6 Molecular Formula: C8H5F3N2O Molecular Weight (g/mol): 202.14 MDL Number: MFCD00204177 InChI Key: QNJPSMLILRHZOW-UHFFFAOYSA-N Synonym: 4-amino-3-trifluoromethoxy benzonitrile,benzonitrile, 4-amino-3-trifluoromethoxy,3-trifluoromethoxy-4-aminobenzonitrile,4-amino-3-trifluoromethoxy benzenecarbonitrile,pubchem4688,ksc535q4r,buttpark 81\01-97,4-cyano-2-trifluoromethoxy-aniline,4-cyano-2-trifluoromethoxy aniline,4-amino-3-trifluoromethoxy-benzonitrile PubChem CID: 2735952 IUPAC Name: 4-amino-3-(trifluoromethoxy)benzonitrile SMILES: NC1=C(OC(F)(F)F)C=C(C=C1)C#N
| PubChem CID | 2735952 |
|---|---|
| CAS | 175278-23-6 |
| Molecular Weight (g/mol) | 202.14 |
| MDL Number | MFCD00204177 |
| SMILES | NC1=C(OC(F)(F)F)C=C(C=C1)C#N |
| Synonym | 4-amino-3-trifluoromethoxy benzonitrile,benzonitrile, 4-amino-3-trifluoromethoxy,3-trifluoromethoxy-4-aminobenzonitrile,4-amino-3-trifluoromethoxy benzenecarbonitrile,pubchem4688,ksc535q4r,buttpark 81\01-97,4-cyano-2-trifluoromethoxy-aniline,4-cyano-2-trifluoromethoxy aniline,4-amino-3-trifluoromethoxy-benzonitrile |
| IUPAC Name | 4-amino-3-(trifluoromethoxy)benzonitrile |
| InChI Key | QNJPSMLILRHZOW-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3N2O |
3-Benzyloxybenzoic acid, 98%
CAS: 69026-14-8 Molecular Formula: C14H11O3 Molecular Weight (g/mol): 227.24 MDL Number: MFCD00527901 InChI Key: CISXCTKEQYOZAM-UHFFFAOYSA-M Synonym: 3-benzyloxy benzoic acid,3-benzyloxybenzoic acid,benzoic acid, 3-phenylmethoxy,3-benzyloxy-benzoic acid,3-phenylmethoxy benzoic acid,enamine_004835,acmc-1b5k3 PubChem CID: 309226 IUPAC Name: 3-phenylmethoxybenzoic acid SMILES: [O-]C(=O)C1=CC=CC(OCC2=CC=CC=C2)=C1
| PubChem CID | 309226 |
|---|---|
| CAS | 69026-14-8 |
| Molecular Weight (g/mol) | 227.24 |
| MDL Number | MFCD00527901 |
| SMILES | [O-]C(=O)C1=CC=CC(OCC2=CC=CC=C2)=C1 |
| Synonym | 3-benzyloxy benzoic acid,3-benzyloxybenzoic acid,benzoic acid, 3-phenylmethoxy,3-benzyloxy-benzoic acid,3-phenylmethoxy benzoic acid,enamine_004835,acmc-1b5k3 |
| IUPAC Name | 3-phenylmethoxybenzoic acid |
| InChI Key | CISXCTKEQYOZAM-UHFFFAOYSA-M |
| Molecular Formula | C14H11O3 |
3-Phenoxy-1-propanol, 97%
CAS: 6180-61-6 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00039549 InChI Key: AWVDYRFLCAZENH-UHFFFAOYSA-N Synonym: 3-phenoxy-1-propanol,1-propanol, 3-phenoxy,3-phenoxy 1-propanol,unii-515pbp1u72,propoxylated phenol,ph 4p,polypropylene glycol phenyl ether,3-phenoxypropanol,3-phenyloxypropanol,polypropylene glycol monophenyl ether PubChem CID: 80319 IUPAC Name: 3-phenoxypropan-1-ol SMILES: OCCCOC1=CC=CC=C1
| PubChem CID | 80319 |
|---|---|
| CAS | 6180-61-6 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00039549 |
| SMILES | OCCCOC1=CC=CC=C1 |
| Synonym | 3-phenoxy-1-propanol,1-propanol, 3-phenoxy,3-phenoxy 1-propanol,unii-515pbp1u72,propoxylated phenol,ph 4p,polypropylene glycol phenyl ether,3-phenoxypropanol,3-phenyloxypropanol,polypropylene glycol monophenyl ether |
| IUPAC Name | 3-phenoxypropan-1-ol |
| InChI Key | AWVDYRFLCAZENH-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
Neostigmine bromide
CAS: 114-80-7 Molecular Formula: C12H19BrN2O2 Molecular Weight (g/mol): 303.20 MDL Number: MFCD00011795 InChI Key: LULNWZDBKTWDGK-UHFFFAOYSA-M Synonym: neostigmine bromide,neo-proserin,eustigmin bromide,neoserine bromide,proserine bromide,stigmanol bromide,synstigmin bromide,leostigmine bromide,kirkstigmine bromide,philostigmin bromide PubChem CID: 8246 ChEBI: CHEBI:179557 IUPAC Name: 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide SMILES: [Br-].CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C
| PubChem CID | 8246 |
|---|---|
| CAS | 114-80-7 |
| Molecular Weight (g/mol) | 303.20 |
| ChEBI | CHEBI:179557 |
| MDL Number | MFCD00011795 |
| SMILES | [Br-].CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C |
| Synonym | neostigmine bromide,neo-proserin,eustigmin bromide,neoserine bromide,proserine bromide,stigmanol bromide,synstigmin bromide,leostigmine bromide,kirkstigmine bromide,philostigmin bromide |
| IUPAC Name | 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide |
| InChI Key | LULNWZDBKTWDGK-UHFFFAOYSA-M |
| Molecular Formula | C12H19BrN2O2 |
4-Benzyloxybenzoic acid, 98%
CAS: 1486-51-7 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00016527 InChI Key: AQSCHALQLXXKKC-UHFFFAOYSA-N PubChem CID: 73880 IUPAC Name: 4-phenylmethoxybenzoic acid SMILES: OC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1
| PubChem CID | 73880 |
|---|---|
| CAS | 1486-51-7 |
| Molecular Weight (g/mol) | 228.25 |
| MDL Number | MFCD00016527 |
| SMILES | OC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1 |
| IUPAC Name | 4-phenylmethoxybenzoic acid |
| InChI Key | AQSCHALQLXXKKC-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3 |
2,4,6-Triphenoxy-1,3,5-triazine, 96%, Thermo Scientific Chemicals
CAS: 1919-48-8 Molecular Formula: C21H15N3O3 Molecular Weight (g/mol): 357.37 MDL Number: MFCD00006048 InChI Key: IYDYVVVAQKFGBS-UHFFFAOYSA-N PubChem CID: 15973 IUPAC Name: 2,4,6-triphenoxy-1,3,5-triazine SMILES: O(C1=CC=CC=C1)C1=NC(OC2=CC=CC=C2)=NC(OC2=CC=CC=C2)=N1
| PubChem CID | 15973 |
|---|---|
| CAS | 1919-48-8 |
| Molecular Weight (g/mol) | 357.37 |
| MDL Number | MFCD00006048 |
| SMILES | O(C1=CC=CC=C1)C1=NC(OC2=CC=CC=C2)=NC(OC2=CC=CC=C2)=N1 |
| IUPAC Name | 2,4,6-triphenoxy-1,3,5-triazine |
| InChI Key | IYDYVVVAQKFGBS-UHFFFAOYSA-N |
| Molecular Formula | C21H15N3O3 |
| CAS | 134-11-2 |
|---|
Diphenylphosphoryl azide, 98%
CAS: 26386-88-9 Molecular Formula: C12H10N3O3P Molecular Weight (g/mol): 275.20 MDL Number: MFCD00001987 InChI Key: SORGEQQSQGNZFI-UHFFFAOYSA-N Synonym: diphenylphosphoryl azide,diphenyl azidophosphate,diphenylphosphonic azide,diphenyl phosphoryl azide,diphenyl phosphorazidate,phosphorazidic acid, diphenyl ester,azido phenoxy phosphoryl oxy benzene,dppa polymer-bound,diphenylphosphorazidate,unii-gxm91165av PubChem CID: 123414 IUPAC Name: [azido(phenoxy)phosphoryl]oxybenzene SMILES: [N-]=[N+]=NP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
| PubChem CID | 123414 |
|---|---|
| CAS | 26386-88-9 |
| Molecular Weight (g/mol) | 275.20 |
| MDL Number | MFCD00001987 |
| SMILES | [N-]=[N+]=NP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 |
| Synonym | diphenylphosphoryl azide,diphenyl azidophosphate,diphenylphosphonic azide,diphenyl phosphoryl azide,diphenyl phosphorazidate,phosphorazidic acid, diphenyl ester,azido phenoxy phosphoryl oxy benzene,dppa polymer-bound,diphenylphosphorazidate,unii-gxm91165av |
| IUPAC Name | [azido(phenoxy)phosphoryl]oxybenzene |
| InChI Key | SORGEQQSQGNZFI-UHFFFAOYSA-N |
| Molecular Formula | C12H10N3O3P |