Benzene and substituted derivatives
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Tranilast 98.0+%, TCI America™
CAS: 53902-12-8 Molecular Formula: C18H17NO5 Molecular Weight (g/mol): 327.34 MDL Number: MFCD00864787 InChI Key: NZHGWWWHIYHZNX-CSKARUKUSA-N Synonym: tranilast,rizaben,trans-tranilast,tranilastum,n-3,4-dimethoxycinnamoyl anthranilic acid,tranilastum inn-latin,tranilast usan:inn:jan,tranpro,unii-hvf50smy6e,rizaben tn PubChem CID: 5282230 ChEBI: CHEBI:77572 IUPAC Name: 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]benzoic acid SMILES: COC1=CC=C(\C=C\C(=O)NC2=CC=CC=C2C(O)=O)C=C1OC
| PubChem CID | 5282230 |
|---|---|
| CAS | 53902-12-8 |
| Molecular Weight (g/mol) | 327.34 |
| ChEBI | CHEBI:77572 |
| MDL Number | MFCD00864787 |
| SMILES | COC1=CC=C(\C=C\C(=O)NC2=CC=CC=C2C(O)=O)C=C1OC |
| Synonym | tranilast,rizaben,trans-tranilast,tranilastum,n-3,4-dimethoxycinnamoyl anthranilic acid,tranilastum inn-latin,tranilast usan:inn:jan,tranpro,unii-hvf50smy6e,rizaben tn |
| IUPAC Name | 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]benzoic acid |
| InChI Key | NZHGWWWHIYHZNX-CSKARUKUSA-N |
| Molecular Formula | C18H17NO5 |
3,3,5-Trimethylcyclohexyl Salicylate (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 118-56-9 Molecular Formula: C16H22O3 Molecular Weight (g/mol): 262.349 InChI Key: WSSJONWNBBTCMG-UHFFFAOYSA-N Synonym: homosalate,coppertone,homomenthyl salicylate,3,3,5-trimethylcyclohexyl salicylate,heliopan,heliophan,filtersol a,m-homomenthyl salicylate,homosalatum,benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester PubChem CID: 8362 IUPAC Name: (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate SMILES: CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O
| PubChem CID | 8362 |
|---|---|
| CAS | 118-56-9 |
| Molecular Weight (g/mol) | 262.349 |
| SMILES | CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O |
| Synonym | homosalate,coppertone,homomenthyl salicylate,3,3,5-trimethylcyclohexyl salicylate,heliopan,heliophan,filtersol a,m-homomenthyl salicylate,homosalatum,benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester |
| IUPAC Name | (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate |
| InChI Key | WSSJONWNBBTCMG-UHFFFAOYSA-N |
| Molecular Formula | C16H22O3 |
N-Vanillylnonanamide 98.0+%, TCI America™
CAS: 2444-46-4 Molecular Formula: C17H27NO3 Molecular Weight (g/mol): 293.407 MDL Number: MFCD00017286 InChI Key: RGOVYLWUIBMPGK-UHFFFAOYSA-N Synonym: N-Nonylvanylamide, N-Pelargonic Acid Vanillylamide, N-Pelargonylvanillylamide, Capsaicin (Synthetic) PubChem CID: 2998 ChEBI: CHEBI:46936 IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide SMILES: CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
| PubChem CID | 2998 |
|---|---|
| CAS | 2444-46-4 |
| Molecular Weight (g/mol) | 293.407 |
| ChEBI | CHEBI:46936 |
| MDL Number | MFCD00017286 |
| SMILES | CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| Synonym | N-Nonylvanylamide, N-Pelargonic Acid Vanillylamide, N-Pelargonylvanillylamide, Capsaicin (Synthetic) |
| IUPAC Name | N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide |
| InChI Key | RGOVYLWUIBMPGK-UHFFFAOYSA-N |
| Molecular Formula | C17H27NO3 |
Ethyl 4-Aminobenzoate 99.0+%, TCI America™
CAS: 94-09-7 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00007892 InChI Key: BLFLLBZGZJTVJG-UHFFFAOYSA-N Synonym: benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin PubChem CID: 2337 ChEBI: CHEBI:116735 IUPAC Name: ethyl 4-aminobenzoate SMILES: CCOC(=O)C1=CC=C(N)C=C1
| PubChem CID | 2337 |
|---|---|
| CAS | 94-09-7 |
| Molecular Weight (g/mol) | 165.19 |
| ChEBI | CHEBI:116735 |
| MDL Number | MFCD00007892 |
| SMILES | CCOC(=O)C1=CC=C(N)C=C1 |
| Synonym | benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin |
| IUPAC Name | ethyl 4-aminobenzoate |
| InChI Key | BLFLLBZGZJTVJG-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
2,6-Difluorobenzylamine 98.0+%, TCI America™
CAS: 69385-30-4 Molecular Formula: C7H8F2N Molecular Weight (g/mol): 144.14 MDL Number: MFCD00010144 InChI Key: PQCUDKMMPTXMAL-UHFFFAOYSA-O PubChem CID: 123563 IUPAC Name: (2,6-difluorophenyl)methanaminium SMILES: [NH3+]CC1=C(F)C=CC=C1F
| PubChem CID | 123563 |
|---|---|
| CAS | 69385-30-4 |
| Molecular Weight (g/mol) | 144.14 |
| MDL Number | MFCD00010144 |
| SMILES | [NH3+]CC1=C(F)C=CC=C1F |
| IUPAC Name | (2,6-difluorophenyl)methanaminium |
| InChI Key | PQCUDKMMPTXMAL-UHFFFAOYSA-O |
| Molecular Formula | C7H8F2N |
Benzyl Benzoate 99.0+%, TCI America™
CAS: 120-51-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00003075 InChI Key: SESFRYSPDFLNCH-UHFFFAOYSA-N Synonym: ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate PubChem CID: 2345 ChEBI: CHEBI:41237 IUPAC Name: benzyl benzoate SMILES: O=C(OCC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2345 |
|---|---|
| CAS | 120-51-4 |
| Molecular Weight (g/mol) | 212.25 |
| ChEBI | CHEBI:41237 |
| MDL Number | MFCD00003075 |
| SMILES | O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate |
| IUPAC Name | benzyl benzoate |
| InChI Key | SESFRYSPDFLNCH-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
Calcium Folinate Hydrate 98.0+%, TCI America™
CAS: 1492-18-8 Molecular Formula: C20H21CaN7O7 Molecular Weight (g/mol): 511.51 MDL Number: MFCD00006704 InChI Key: KVUAALJSMIVURS-AEQORCIRNA-L Synonym: calcium folinate PubChem CID: 131675590 IUPAC Name: calcium (2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate SMILES: [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1
| PubChem CID | 131675590 |
|---|---|
| CAS | 1492-18-8 |
| Molecular Weight (g/mol) | 511.51 |
| MDL Number | MFCD00006704 |
| SMILES | [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1 |
| Synonym | calcium folinate |
| IUPAC Name | calcium (2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate |
| InChI Key | KVUAALJSMIVURS-AEQORCIRNA-L |
| Molecular Formula | C20H21CaN7O7 |
4-Bromo-1,2-dimethoxybenzene 97.0+%, TCI America™
CAS: 2859-78-1 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.062 MDL Number: MFCD00008381 InChI Key: KBTMGSMZIKLAHN-UHFFFAOYSA-N Synonym: 4-bromoveratrole,1-bromo-3,4-dimethoxybenzene,3,4-dimethoxybromobenzene,p-bromoveratrole,benzene, 4-bromo-1,2-dimethoxy,3,4-dimethoxyphenyl bromide,4-bromo-1,2-dimethoxy-benzene,1,2-dimethoxy-4-bromobenzene,4-bromocatechol dimethyl ether,4-bromoveratrol PubChem CID: 76114 IUPAC Name: 4-bromo-1,2-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)Br)OC
| PubChem CID | 76114 |
|---|---|
| CAS | 2859-78-1 |
| Molecular Weight (g/mol) | 217.062 |
| MDL Number | MFCD00008381 |
| SMILES | COC1=C(C=C(C=C1)Br)OC |
| Synonym | 4-bromoveratrole,1-bromo-3,4-dimethoxybenzene,3,4-dimethoxybromobenzene,p-bromoveratrole,benzene, 4-bromo-1,2-dimethoxy,3,4-dimethoxyphenyl bromide,4-bromo-1,2-dimethoxy-benzene,1,2-dimethoxy-4-bromobenzene,4-bromocatechol dimethyl ether,4-bromoveratrol |
| IUPAC Name | 4-bromo-1,2-dimethoxybenzene |
| InChI Key | KBTMGSMZIKLAHN-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO2 |
2-(Trifluoromethyl)benzyl Bromide 97.0+%, TCI America™
CAS: 395-44-8 Molecular Formula: C8H6BrF3 Molecular Weight (g/mol): 239.04 MDL Number: MFCD00013558 InChI Key: TXVVVEUSVBLDED-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzyl bromide,1-bromomethyl-2-trifluoromethyl benzene,2-trifluoromethylbenzyl bromide,2-trifluoromethyl benzylbromide,o-trifluoromethylbenzyl bromide,benzene, 1-bromomethyl-2-trifluoromethyl,o-trifluoromethyl benzyl bromide,alpha'-bromo-alpha,alpha,alpha-trifluoro-o-xylene,1-bromomethyl-2-trifluoromethyl-benzene,a'-bromo-a,a,a-trifluoro-o-xylene PubChem CID: 123057 IUPAC Name: 1-(bromomethyl)-2-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=CC=C1CBr
| PubChem CID | 123057 |
|---|---|
| CAS | 395-44-8 |
| Molecular Weight (g/mol) | 239.04 |
| MDL Number | MFCD00013558 |
| SMILES | FC(F)(F)C1=CC=CC=C1CBr |
| Synonym | 2-trifluoromethyl benzyl bromide,1-bromomethyl-2-trifluoromethyl benzene,2-trifluoromethylbenzyl bromide,2-trifluoromethyl benzylbromide,o-trifluoromethylbenzyl bromide,benzene, 1-bromomethyl-2-trifluoromethyl,o-trifluoromethyl benzyl bromide,alpha'-bromo-alpha,alpha,alpha-trifluoro-o-xylene,1-bromomethyl-2-trifluoromethyl-benzene,a'-bromo-a,a,a-trifluoro-o-xylene |
| IUPAC Name | 1-(bromomethyl)-2-(trifluoromethyl)benzene |
| InChI Key | TXVVVEUSVBLDED-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrF3 |
Benzophenone Imine 95.0+%, TCI America™
CAS: 1013-88-3 Molecular Formula: C13H11N Molecular Weight (g/mol): 181.238 MDL Number: MFCD00001760 InChI Key: SXZIXHOMFPUIRK-UHFFFAOYSA-N Synonym: benzophenone imine,benzophenoneimine,benzhydrylideneamine,1,1-diphenylmethanimine,unii-ejj21na7vi,benzhydrylimine,benzophenonimine,diphenylmethanimineimine,1,1-diphenylmethylimine,benzenemethanimine, .alpha.-phenyl PubChem CID: 136809 IUPAC Name: diphenylmethanimine SMILES: C1=CC=C(C=C1)C(=N)C2=CC=CC=C2
| PubChem CID | 136809 |
|---|---|
| CAS | 1013-88-3 |
| Molecular Weight (g/mol) | 181.238 |
| MDL Number | MFCD00001760 |
| SMILES | C1=CC=C(C=C1)C(=N)C2=CC=CC=C2 |
| Synonym | benzophenone imine,benzophenoneimine,benzhydrylideneamine,1,1-diphenylmethanimine,unii-ejj21na7vi,benzhydrylimine,benzophenonimine,diphenylmethanimineimine,1,1-diphenylmethylimine,benzenemethanimine, .alpha.-phenyl |
| IUPAC Name | diphenylmethanimine |
| InChI Key | SXZIXHOMFPUIRK-UHFFFAOYSA-N |
| Molecular Formula | C13H11N |
2,4-Bis(alpha,alpha-dimethylbenzyl)phenol 97.0+%, TCI America™
CAS: 2772-45-4 Molecular Formula: C24H26O Molecular Weight (g/mol): 330.471 InChI Key: FMUYQRFTLHAARI-UHFFFAOYSA-N Synonym: 2,4-Di-alpha-cumylphenol PubChem CID: 76013 IUPAC Name: 2,4-bis(2-phenylpropan-2-yl)phenol SMILES: CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)(C)C3=CC=CC=C3
| PubChem CID | 76013 |
|---|---|
| CAS | 2772-45-4 |
| Molecular Weight (g/mol) | 330.471 |
| SMILES | CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)(C)C3=CC=CC=C3 |
| Synonym | 2,4-Di-alpha-cumylphenol |
| IUPAC Name | 2,4-bis(2-phenylpropan-2-yl)phenol |
| InChI Key | FMUYQRFTLHAARI-UHFFFAOYSA-N |
| Molecular Formula | C24H26O |
Benzyl Alcohol, NF, 98-100.5%, Spectrum™ Chemical
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CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| CAS | 100-51-6 |
|---|---|
| Molecular Weight (g/mol) | 108.14 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
2-Bromo-1-{4-methyl-2-[4-(trifluoromethyl)phenyl]1,3-thiazol-5-yl}-1-ethanone, ≥97%, Thermo Scientific™
CAS: 845885-81-6 Molecular Formula: C13H9BrF3NOS Molecular Weight (g/mol): 364.18 MDL Number: MFCD05664414 InChI Key: XGHUMHHAMHEPCS-UHFFFAOYSA-N Synonym: 2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-1,3-thiazol-5-yl-1-ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-1,3-thiazol-5-yl ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl thiazol-5-yl ethanone,ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-5-thiazolyl PubChem CID: 2794631 IUPAC Name: 2-bromo-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone SMILES: CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CBr
| PubChem CID | 2794631 |
|---|---|
| CAS | 845885-81-6 |
| Molecular Weight (g/mol) | 364.18 |
| MDL Number | MFCD05664414 |
| SMILES | CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CBr |
| Synonym | 2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-1,3-thiazol-5-yl-1-ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-1,3-thiazol-5-yl ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl thiazol-5-yl ethanone,ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-5-thiazolyl |
| IUPAC Name | 2-bromo-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone |
| InChI Key | XGHUMHHAMHEPCS-UHFFFAOYSA-N |
| Molecular Formula | C13H9BrF3NOS |
(R)-(+)-1-Phenyl-1-propanol, 99%
CAS: 1565-74-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00064279 InChI Key: DYUQAZSOFZSPHD-SECBINFHSA-N Synonym: r-+-1-phenyl-1-propanol,r-1-phenylpropan-1-ol,1r-1-phenylpropan-1-ol,r-1-phenyl-1-propanol,r-1-phenyl-propanol,r-+-alpha-ethylbenzyl alcohol,r-+-1-phenylpropanol,r-1-phenylpropanol,1-phenyl-1-propanol #,r-1-phenyl-1propanol PubChem CID: 640199 IUPAC Name: (1R)-1-phenylpropan-1-ol SMILES: CCC(C1=CC=CC=C1)O
| PubChem CID | 640199 |
|---|---|
| CAS | 1565-74-8 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00064279 |
| SMILES | CCC(C1=CC=CC=C1)O |
| Synonym | r-+-1-phenyl-1-propanol,r-1-phenylpropan-1-ol,1r-1-phenylpropan-1-ol,r-1-phenyl-1-propanol,r-1-phenyl-propanol,r-+-alpha-ethylbenzyl alcohol,r-+-1-phenylpropanol,r-1-phenylpropanol,1-phenyl-1-propanol #,r-1-phenyl-1propanol |
| IUPAC Name | (1R)-1-phenylpropan-1-ol |
| InChI Key | DYUQAZSOFZSPHD-SECBINFHSA-N |
| Molecular Formula | C9H12O |