Benzene and substituted derivatives
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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 |
Diethylstilbestrol 98.0+%, TCI America™
CAS: 6898-97-1 Molecular Formula: C18H20O2 Molecular Weight (g/mol): 268.36 MDL Number: MFCD00002373 InChI Key: RGLYKWWBQGJZGM-ISLYRVAYSA-N Synonym: Stilbestrol PubChem CID: 688057 IUPAC Name: 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol SMILES: CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
| PubChem CID | 688057 |
|---|---|
| CAS | 6898-97-1 |
| Molecular Weight (g/mol) | 268.36 |
| MDL Number | MFCD00002373 |
| SMILES | CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 |
| Synonym | Stilbestrol |
| IUPAC Name | 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol |
| InChI Key | RGLYKWWBQGJZGM-ISLYRVAYSA-N |
| Molecular Formula | C18H20O2 |
5-Methylsalicylic Acid 98.0+%, TCI America™
CAS: 89-56-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002461 InChI Key: DLGBEGBHXSAQOC-UHFFFAOYSA-N Synonym: 5-methylsalicylic acid,p-cresotic acid,p-cresotinic acid,6-hydroxy-m-toluic acid,p-homosalicylic acid,2,5-cresotic acid,benzoic acid, 2-hydroxy-5-methyl,5-methyl-2-hydroxybenzoic acid,6-hydroxy-3-methylbenzoic acid,alpha-cresotinic acid PubChem CID: 6973 IUPAC Name: 2-hydroxy-5-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)O)C(=O)O
| PubChem CID | 6973 |
|---|---|
| CAS | 89-56-5 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00002461 |
| SMILES | CC1=CC(=C(C=C1)O)C(=O)O |
| Synonym | 5-methylsalicylic acid,p-cresotic acid,p-cresotinic acid,6-hydroxy-m-toluic acid,p-homosalicylic acid,2,5-cresotic acid,benzoic acid, 2-hydroxy-5-methyl,5-methyl-2-hydroxybenzoic acid,6-hydroxy-3-methylbenzoic acid,alpha-cresotinic acid |
| IUPAC Name | 2-hydroxy-5-methylbenzoic acid |
| InChI Key | DLGBEGBHXSAQOC-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Benzyl Thiocyanate 99.0+%, TCI America™
CAS: 3012-37-1 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.21 MDL Number: MFCD00001832 InChI Key: ABNDFSOIUFLJAH-UHFFFAOYSA-N Synonym: tropeolin,thiocyanic acid, phenylmethyl ester,solvat 14,benzylthiocyanate,benzylrhodonid,thiocyanic acid, benzyl ester,alpha-thiocyanatotoluene,benzyl-thiocyanate,thiocyanic acid benzyl ester,phenylmethyl thiocyanate PubChem CID: 18170 ChEBI: CHEBI:16017 IUPAC Name: (benzylsulfanyl)carbonitrile SMILES: N#CSCC1=CC=CC=C1
| PubChem CID | 18170 |
|---|---|
| CAS | 3012-37-1 |
| Molecular Weight (g/mol) | 149.21 |
| ChEBI | CHEBI:16017 |
| MDL Number | MFCD00001832 |
| SMILES | N#CSCC1=CC=CC=C1 |
| Synonym | tropeolin,thiocyanic acid, phenylmethyl ester,solvat 14,benzylthiocyanate,benzylrhodonid,thiocyanic acid, benzyl ester,alpha-thiocyanatotoluene,benzyl-thiocyanate,thiocyanic acid benzyl ester,phenylmethyl thiocyanate |
| IUPAC Name | (benzylsulfanyl)carbonitrile |
| InChI Key | ABNDFSOIUFLJAH-UHFFFAOYSA-N |
| Molecular Formula | C8H7NS |
alpha,alpha'-Dibromo-m-xylene 97.0+%, TCI America™
CAS: 626-15-3 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.96 MDL Number: MFCD00000178 InChI Key: OXHOPZLBSSTTBU-UHFFFAOYSA-N Synonym: 1,3-bis bromomethyl benzene,m-xylylene dibromide,alpha,alpha'-dibromo-m-xylene,benzene, 1,3-bis bromomethyl,m-bis bromomethyl benzene,m-xylylene bromide,ccris 1777,m-xylyene dibromide,m-xylene, .alpha.,.alpha.'-dibromo,m-.alpha.,.alpha.'-dibromoxylene PubChem CID: 69373 IUPAC Name: 1,3-bis(bromomethyl)benzene SMILES: C1=CC(=CC(=C1)CBr)CBr
| PubChem CID | 69373 |
|---|---|
| CAS | 626-15-3 |
| Molecular Weight (g/mol) | 263.96 |
| MDL Number | MFCD00000178 |
| SMILES | C1=CC(=CC(=C1)CBr)CBr |
| Synonym | 1,3-bis bromomethyl benzene,m-xylylene dibromide,alpha,alpha'-dibromo-m-xylene,benzene, 1,3-bis bromomethyl,m-bis bromomethyl benzene,m-xylylene bromide,ccris 1777,m-xylyene dibromide,m-xylene, .alpha.,.alpha.'-dibromo,m-.alpha.,.alpha.'-dibromoxylene |
| IUPAC Name | 1,3-bis(bromomethyl)benzene |
| InChI Key | OXHOPZLBSSTTBU-UHFFFAOYSA-N |
| Molecular Formula | C8H8Br2 |
3,5-Di-tert-butylbenzaldehyde 97.0+%, TCI America™
CAS: 17610-00-3 Molecular Formula: C15H22O Molecular Weight (g/mol): 218.34 MDL Number: MFCD00026298 InChI Key: BRUITYMDHWNCIG-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylbenzaldehyde,3,5-bis tert-butyl benzaldehyde,3,5-di-t-butylbenzaldehyde,3,5-bis tert-butyl-1-formylbenzene,benzaldehyde, 3,5-bis 1,1-dimethylethyl,3,5-di-tert-butyl-benzaldehyde,acmc-20ai73,3,5-di-tertbutylbenzaldehyde,ksc181g1d,3,5-di-tert butylbenzaldehyde PubChem CID: 1268253 IUPAC Name: 3,5-di-tert-butylbenzaldehyde SMILES: CC(C)(C)C1=CC(=CC(C=O)=C1)C(C)(C)C
| PubChem CID | 1268253 |
|---|---|
| CAS | 17610-00-3 |
| Molecular Weight (g/mol) | 218.34 |
| MDL Number | MFCD00026298 |
| SMILES | CC(C)(C)C1=CC(=CC(C=O)=C1)C(C)(C)C |
| Synonym | 3,5-di-tert-butylbenzaldehyde,3,5-bis tert-butyl benzaldehyde,3,5-di-t-butylbenzaldehyde,3,5-bis tert-butyl-1-formylbenzene,benzaldehyde, 3,5-bis 1,1-dimethylethyl,3,5-di-tert-butyl-benzaldehyde,acmc-20ai73,3,5-di-tertbutylbenzaldehyde,ksc181g1d,3,5-di-tert butylbenzaldehyde |
| IUPAC Name | 3,5-di-tert-butylbenzaldehyde |
| InChI Key | BRUITYMDHWNCIG-UHFFFAOYSA-N |
| Molecular Formula | C15H22O |
3-Bromopropyltriphenylphosphonium Bromide 98.0+%, TCI America™
CAS: 3607-17-8 Molecular Formula: C21H21Br2P Molecular Weight (g/mol): 464.181 MDL Number: MFCD00011866 InChI Key: ZAHUZZUGJRPGKW-UHFFFAOYSA-M Synonym: 3-bromopropyl triphenylphosphonium bromide,3-bromopropyltriphenylphosphonium bromide,bromo 3-bromopropyl triphenylphosphorus,phosphonium, 3-bromopropyl triphenyl-, bromide,3-bromopropyl triphenylphosphanium bromide,3-bromopropyl triphenylphosphonium,acmc-209ikr,bromo 3-bromopropyl triphenylphosphorane,3-brompropyl triphenylphosphonium bromide PubChem CID: 2723862 IUPAC Name: 3-bromopropyl(triphenyl)phosphanium;bromide SMILES: C1=CC=C(C=C1)[P+](CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
| PubChem CID | 2723862 |
|---|---|
| CAS | 3607-17-8 |
| Molecular Weight (g/mol) | 464.181 |
| MDL Number | MFCD00011866 |
| SMILES | C1=CC=C(C=C1)[P+](CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-] |
| Synonym | 3-bromopropyl triphenylphosphonium bromide,3-bromopropyltriphenylphosphonium bromide,bromo 3-bromopropyl triphenylphosphorus,phosphonium, 3-bromopropyl triphenyl-, bromide,3-bromopropyl triphenylphosphanium bromide,3-bromopropyl triphenylphosphonium,acmc-209ikr,bromo 3-bromopropyl triphenylphosphorane,3-brompropyl triphenylphosphonium bromide |
| IUPAC Name | 3-bromopropyl(triphenyl)phosphanium;bromide |
| InChI Key | ZAHUZZUGJRPGKW-UHFFFAOYSA-M |
| Molecular Formula | C21H21Br2P |
2-(Trifluoromethyl)benzenesulfonyl Chloride 98.0+%, TCI America™
CAS: 776-04-5 Molecular Formula: C7H4ClF3O2S Molecular Weight (g/mol): 244.612 InChI Key: ZIZGWNOAHUCACM-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzenesulfonyl chloride,2-trifluoromethyl benzene-1-sulfonyl chloride,2-trifluoromethylbenzenesulphonyl chloride,2-trifluoromethyl benzenesulphonyl chloride,o-trifluoromethyl benzenesulfonyl chloride,o-trifluoromethylbenzenesulfonyl chloride,2-trifluoromethyl benzene sulfonyl chloride,benzenesulfonyl chloride, 2-trifluoromethyl,alpha,alpha,alpha-trifluorotoluene-2-sulfonyl chloride PubChem CID: 136616 IUPAC Name: 2-(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)Cl
| PubChem CID | 136616 |
|---|---|
| CAS | 776-04-5 |
| Molecular Weight (g/mol) | 244.612 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)Cl |
| Synonym | 2-trifluoromethyl benzenesulfonyl chloride,2-trifluoromethyl benzene-1-sulfonyl chloride,2-trifluoromethylbenzenesulphonyl chloride,2-trifluoromethyl benzenesulphonyl chloride,o-trifluoromethyl benzenesulfonyl chloride,o-trifluoromethylbenzenesulfonyl chloride,2-trifluoromethyl benzene sulfonyl chloride,benzenesulfonyl chloride, 2-trifluoromethyl,alpha,alpha,alpha-trifluorotoluene-2-sulfonyl chloride |
| IUPAC Name | 2-(trifluoromethyl)benzenesulfonyl chloride |
| InChI Key | ZIZGWNOAHUCACM-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClF3O2S |
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 |
4-Hydroxyphenylacetone 97.0+%, TCI America™
CAS: 770-39-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00210439 InChI Key: VWMVAQHMFFZQGD-UHFFFAOYSA-N Synonym: 4-hydroxyphenylacetone,1-4-hydroxyphenyl propan-2-one,1-4-hydroxyphenyl acetone,p-hydroxyphenylacetone,1-4-hydroxyphenyl-2-propanone,2-propanone, 1-4-hydroxyphenyl,4-hydroxyphenyl acetone,4-hydroxyphenylpropanone,acmc-209p7o,4-hydroxyphenylpropan-2-one PubChem CID: 7019274 IUPAC Name: 1-(4-hydroxyphenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(O)C=C1
| PubChem CID | 7019274 |
|---|---|
| CAS | 770-39-8 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00210439 |
| SMILES | CC(=O)CC1=CC=C(O)C=C1 |
| Synonym | 4-hydroxyphenylacetone,1-4-hydroxyphenyl propan-2-one,1-4-hydroxyphenyl acetone,p-hydroxyphenylacetone,1-4-hydroxyphenyl-2-propanone,2-propanone, 1-4-hydroxyphenyl,4-hydroxyphenyl acetone,4-hydroxyphenylpropanone,acmc-209p7o,4-hydroxyphenylpropan-2-one |
| IUPAC Name | 1-(4-hydroxyphenyl)propan-2-one |
| InChI Key | VWMVAQHMFFZQGD-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Bis(4-tert-butylphenyl)amine 90.0+%, TCI America™
CAS: 4627-22-9 Molecular Formula: C20H27N Molecular Weight (g/mol): 281.443 InChI Key: OPEKHRGERHDLRK-UHFFFAOYSA-N PubChem CID: 458684 IUPAC Name: 4-tert-butyl-N-(4-tert-butylphenyl)aniline SMILES: CC(C)(C)C1=CC=C(C=C1)NC2=CC=C(C=C2)C(C)(C)C
| PubChem CID | 458684 |
|---|---|
| CAS | 4627-22-9 |
| Molecular Weight (g/mol) | 281.443 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)NC2=CC=C(C=C2)C(C)(C)C |
| IUPAC Name | 4-tert-butyl-N-(4-tert-butylphenyl)aniline |
| InChI Key | OPEKHRGERHDLRK-UHFFFAOYSA-N |
| Molecular Formula | C20H27N |
Phenylbis(2,4,6-trimethylbenzoyl)phosphine Oxide 96.0+%, TCI America™
CAS: 162881-26-7 Molecular Formula: C26H27O3P Molecular Weight (g/mol): 418.473 MDL Number: MFCD01863675 InChI Key: GUCYFKSBFREPBC-UHFFFAOYSA-N Synonym: BAPO PubChem CID: 164512 IUPAC Name: [phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone SMILES: CC1=CC(=C(C(=C1)C)C(=O)P(=O)(C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3C)C)C)C
| PubChem CID | 164512 |
|---|---|
| CAS | 162881-26-7 |
| Molecular Weight (g/mol) | 418.473 |
| MDL Number | MFCD01863675 |
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)P(=O)(C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3C)C)C)C |
| Synonym | BAPO |
| IUPAC Name | [phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone |
| InChI Key | GUCYFKSBFREPBC-UHFFFAOYSA-N |
| Molecular Formula | C26H27O3P |
2,4-Dichloro-4'-nitrobiphenyl Ether 98.0+%, TCI America™
CAS: 1836-75-5 Molecular Formula: C12H7Cl2NO3 Molecular Weight (g/mol): 284.092 MDL Number: MFCD00128026 InChI Key: XITQUSLLOSKDTB-UHFFFAOYSA-N Synonym: nitrofen,2,4-dichloro-1-4-nitrophenoxy benzene,nitrochlor,nitrophen,niclofen,nitrophene,trizilin,mezotox,nitrafen,nitraphen PubChem CID: 15787 IUPAC Name: 2,4-dichloro-1-(4-nitrophenoxy)benzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl
| PubChem CID | 15787 |
|---|---|
| CAS | 1836-75-5 |
| Molecular Weight (g/mol) | 284.092 |
| MDL Number | MFCD00128026 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl |
| Synonym | nitrofen,2,4-dichloro-1-4-nitrophenoxy benzene,nitrochlor,nitrophen,niclofen,nitrophene,trizilin,mezotox,nitrafen,nitraphen |
| IUPAC Name | 2,4-dichloro-1-(4-nitrophenoxy)benzene |
| InChI Key | XITQUSLLOSKDTB-UHFFFAOYSA-N |
| Molecular Formula | C12H7Cl2NO3 |
4-(Trifluoromethyl)benzenesulfonyl Chloride 98.0+%, TCI America™
CAS: 2991-42-6 Molecular Formula: C7H4ClF3O2S Molecular Weight (g/mol): 244.61 MDL Number: MFCD00042422 InChI Key: OZDCZHDOIBUGAJ-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzene-1-sulfonyl chloride,4-trifluoromethyl benzene sulfonyl chloride,p-trifluoromethylbenzenesulfonyl chloride,4-trifluoromethyl benzenesulfonylchloride,4-trifluoromethyl-benzenesulfonyl chloride,4-trifluoromethyl phenylsulfonyl chloride,p-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzenesulphonyl chloride,benzenesulfonyl chloride, 4-trifluoromethyl PubChem CID: 2777399 IUPAC Name: 4-(trifluoromethyl)benzene-1-sulfonyl chloride SMILES: FC(F)(F)C1=CC=C(C=C1)S(Cl)(=O)=O
| PubChem CID | 2777399 |
|---|---|
| CAS | 2991-42-6 |
| Molecular Weight (g/mol) | 244.61 |
| MDL Number | MFCD00042422 |
| SMILES | FC(F)(F)C1=CC=C(C=C1)S(Cl)(=O)=O |
| Synonym | 4-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzene-1-sulfonyl chloride,4-trifluoromethyl benzene sulfonyl chloride,p-trifluoromethylbenzenesulfonyl chloride,4-trifluoromethyl benzenesulfonylchloride,4-trifluoromethyl-benzenesulfonyl chloride,4-trifluoromethyl phenylsulfonyl chloride,p-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzenesulphonyl chloride,benzenesulfonyl chloride, 4-trifluoromethyl |
| IUPAC Name | 4-(trifluoromethyl)benzene-1-sulfonyl chloride |
| InChI Key | OZDCZHDOIBUGAJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClF3O2S |