Benzene and substituted derivatives
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5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic Acid 98.0+%, TCI America™
CAS: 956317-36-5 Molecular Formula: C10H9N3O2 Molecular Weight (g/mol): 203.201 MDL Number: MFCD18382679 InChI Key: SRBAGFIYKNQXDV-UHFFFAOYSA-N PubChem CID: 53260165 IUPAC Name: 5-methyl-2-(triazol-2-yl)benzoic acid SMILES: CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)O
| PubChem CID | 53260165 |
|---|---|
| CAS | 956317-36-5 |
| Molecular Weight (g/mol) | 203.201 |
| MDL Number | MFCD18382679 |
| SMILES | CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)O |
| IUPAC Name | 5-methyl-2-(triazol-2-yl)benzoic acid |
| InChI Key | SRBAGFIYKNQXDV-UHFFFAOYSA-N |
| Molecular Formula | C10H9N3O2 |
Diallyl Phthalate 98.0+%, TCI America™
CAS: 131-17-9 Molecular Formula: C14H14O4 Molecular Weight (g/mol): 246.262 MDL Number: MFCD00008646 InChI Key: QUDWYFHPNIMBFC-UHFFFAOYSA-N Synonym: diallyl phthalate,allyl phthalate,diallylphthalate,dapon r,phthalic acid diallyl ester,dapon 35,phthalic acid, diallyl ester,o-phthalic acid, diallyl ester,1,2-benzenedicarboxylic acid, di-2-propenyl ester,unii-f79l0ul6st PubChem CID: 8560 IUPAC Name: bis(prop-2-enyl) benzene-1,2-dicarboxylate SMILES: C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C
| PubChem CID | 8560 |
|---|---|
| CAS | 131-17-9 |
| Molecular Weight (g/mol) | 246.262 |
| MDL Number | MFCD00008646 |
| SMILES | C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C |
| Synonym | diallyl phthalate,allyl phthalate,diallylphthalate,dapon r,phthalic acid diallyl ester,dapon 35,phthalic acid, diallyl ester,o-phthalic acid, diallyl ester,1,2-benzenedicarboxylic acid, di-2-propenyl ester,unii-f79l0ul6st |
| IUPAC Name | bis(prop-2-enyl) benzene-1,2-dicarboxylate |
| InChI Key | QUDWYFHPNIMBFC-UHFFFAOYSA-N |
| Molecular Formula | C14H14O4 |
2-Bromo-5-fluorobenzaldehyde 95.0+%, TCI America™
CAS: 94569-84-3 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00142872 InChI Key: CJUCIKJLMFVWIS-UHFFFAOYSA-N Synonym: benzaldehyde, 2-bromo-5-fluoro,2-bromo-5-fluorobenzaldhyde,5-fluoro-2-bromo benzaldehyde,2-bromo-5-fluoro-benzaldehyde,pubchem1418,acmc-209rsk,ksc494g0d,2-bromo-5-fluoro benzaldehyde,2-bromo-5-fluorobenzaldehyde PubChem CID: 2773321 IUPAC Name: 2-bromo-5-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1F)C=O)Br
| PubChem CID | 2773321 |
|---|---|
| CAS | 94569-84-3 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00142872 |
| SMILES | C1=CC(=C(C=C1F)C=O)Br |
| Synonym | benzaldehyde, 2-bromo-5-fluoro,2-bromo-5-fluorobenzaldhyde,5-fluoro-2-bromo benzaldehyde,2-bromo-5-fluoro-benzaldehyde,pubchem1418,acmc-209rsk,ksc494g0d,2-bromo-5-fluoro benzaldehyde,2-bromo-5-fluorobenzaldehyde |
| IUPAC Name | 2-bromo-5-fluorobenzaldehyde |
| InChI Key | CJUCIKJLMFVWIS-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
Terephthalaldehyde 98.0+%, TCI America™
CAS: 623-27-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.134 MDL Number: MFCD00006949 InChI Key: KUCOHFSKRZZVRO-UHFFFAOYSA-N Synonym: 1,4-benzenedicarboxaldehyde,p-phthalaldehyde,terephthaldehyde,terephthaldialdehyde,terephthaladehyde,terephthaldicarboxaldehyde,terephthalic aldehyde,1,4-phthalaldehyde,p-formylbenzaldehyde,terephtaldehyde PubChem CID: 12173 IUPAC Name: terephthalaldehyde SMILES: C1=CC(=CC=C1C=O)C=O
| PubChem CID | 12173 |
|---|---|
| CAS | 623-27-8 |
| Molecular Weight (g/mol) | 134.134 |
| MDL Number | MFCD00006949 |
| SMILES | C1=CC(=CC=C1C=O)C=O |
| Synonym | 1,4-benzenedicarboxaldehyde,p-phthalaldehyde,terephthaldehyde,terephthaldialdehyde,terephthaladehyde,terephthaldicarboxaldehyde,terephthalic aldehyde,1,4-phthalaldehyde,p-formylbenzaldehyde,terephtaldehyde |
| IUPAC Name | terephthalaldehyde |
| InChI Key | KUCOHFSKRZZVRO-UHFFFAOYSA-N |
| Molecular Formula | C8H6O2 |
2-(p-Tolyl)benzoic Acid 98.0+%, TCI America™
CAS: 7148-03-0 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.248 MDL Number: MFCD00045826 InChI Key: ZSTUEICKYWFYIC-UHFFFAOYSA-N PubChem CID: 81568 IUPAC Name: 2-(4-methylphenyl)benzoic acid SMILES: CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O
| PubChem CID | 81568 |
|---|---|
| CAS | 7148-03-0 |
| Molecular Weight (g/mol) | 212.248 |
| MDL Number | MFCD00045826 |
| SMILES | CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O |
| IUPAC Name | 2-(4-methylphenyl)benzoic acid |
| InChI Key | ZSTUEICKYWFYIC-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
4-Bromo-2-chlorobenzaldehyde 97.0+%, TCI America™
CAS: 158435-41-7 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.46 MDL Number: MFCD08741413 InChI Key: DHGPLNJITGVCSG-UHFFFAOYSA-N PubChem CID: 14109109 IUPAC Name: 4-bromo-2-chlorobenzaldehyde SMILES: ClC1=C(C=O)C=CC(Br)=C1
| PubChem CID | 14109109 |
|---|---|
| CAS | 158435-41-7 |
| Molecular Weight (g/mol) | 219.46 |
| MDL Number | MFCD08741413 |
| SMILES | ClC1=C(C=O)C=CC(Br)=C1 |
| IUPAC Name | 4-bromo-2-chlorobenzaldehyde |
| InChI Key | DHGPLNJITGVCSG-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO |
Benzhydrylamine 97.0+%, TCI America™
CAS: 91-00-9 Molecular Formula: C13H13N Molecular Weight (g/mol): 183.254 MDL Number: MFCD00008059 InChI Key: MGHPNCMVUAKAIE-UHFFFAOYSA-N Synonym: aminodiphenylmethane,benzhydrylamine,1,1-diphenylmethylamine,diphenylmethyl amine,1,1-diphenylmethanamine,alpha-aminodiphenylmethane,methanamine, 1,1-diphenyl,alpha-phenylbenzylamine,benzhydrylamin,benzhydryl amine PubChem CID: 7036 IUPAC Name: diphenylmethanamine SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N
| PubChem CID | 7036 |
|---|---|
| CAS | 91-00-9 |
| Molecular Weight (g/mol) | 183.254 |
| MDL Number | MFCD00008059 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)N |
| Synonym | aminodiphenylmethane,benzhydrylamine,1,1-diphenylmethylamine,diphenylmethyl amine,1,1-diphenylmethanamine,alpha-aminodiphenylmethane,methanamine, 1,1-diphenyl,alpha-phenylbenzylamine,benzhydrylamin,benzhydryl amine |
| IUPAC Name | diphenylmethanamine |
| InChI Key | MGHPNCMVUAKAIE-UHFFFAOYSA-N |
| Molecular Formula | C13H13N |
4,4'-Dimethylbenzhydrol 98.0+%, TCI America™
CAS: 885-77-8 Molecular Formula: C15H16O Molecular Weight (g/mol): 212.292 MDL Number: MFCD00017216 InChI Key: RGYZQSCFKFDECZ-UHFFFAOYSA-N Synonym: 4,4'-dimethylbenzhydrol,di-p-tolylmethanol,bis 4-methylphenyl methanol,benzenemethanol, 4-methyl-.alpha.-4-methylphenyl,benzhydrol, 4,4'-dimethyl,di p-tolyl methanol,4,4-dimethylbenzhydrol,4,4'-ditolyl carbinol,benzhydrol,4'-dimethyl PubChem CID: 279356 IUPAC Name: bis(4-methylphenyl)methanol SMILES: CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)O
| PubChem CID | 279356 |
|---|---|
| CAS | 885-77-8 |
| Molecular Weight (g/mol) | 212.292 |
| MDL Number | MFCD00017216 |
| SMILES | CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)O |
| Synonym | 4,4'-dimethylbenzhydrol,di-p-tolylmethanol,bis 4-methylphenyl methanol,benzenemethanol, 4-methyl-.alpha.-4-methylphenyl,benzhydrol, 4,4'-dimethyl,di p-tolyl methanol,4,4-dimethylbenzhydrol,4,4'-ditolyl carbinol,benzhydrol,4'-dimethyl |
| IUPAC Name | bis(4-methylphenyl)methanol |
| InChI Key | RGYZQSCFKFDECZ-UHFFFAOYSA-N |
| Molecular Formula | C15H16O |
Ebastine 98.0+%, TCI America™
CAS: 90729-43-4 Molecular Formula: C32H39NO2 Molecular Weight (g/mol): 469.669 MDL Number: MFCD00865661 InChI Key: MJJALKDDGIKVBE-UHFFFAOYSA-N Synonym: ebastine,kestine,ebastel,ebastin,kestin,evastel,bactil,ebastinum latin,las w-090,ebastina spanish PubChem CID: 3191 IUPAC Name: 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4
| PubChem CID | 3191 |
|---|---|
| CAS | 90729-43-4 |
| Molecular Weight (g/mol) | 469.669 |
| MDL Number | MFCD00865661 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4 |
| Synonym | ebastine,kestine,ebastel,ebastin,kestin,evastel,bactil,ebastinum latin,las w-090,ebastina spanish |
| IUPAC Name | 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one |
| InChI Key | MJJALKDDGIKVBE-UHFFFAOYSA-N |
| Molecular Formula | C32H39NO2 |
Isopropamide Iodide 95.0+%, TCI America™
CAS: 71-81-8 Molecular Formula: C23H33IN2O Molecular Weight (g/mol): 480.434 MDL Number: MFCD00063513 InChI Key: BFSMWENDZZIWPW-UHFFFAOYSA-N Synonym: 4-Amino-N,N-diisopropyl-N-methyl-4-oxo-3,3-diphenyl-1-butanaminium Iodide, (3-Carbamoyl-3,3-diphenylpropyl)diisopropylmethylammonium Iodide PubChem CID: 6284 IUPAC Name: (4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium;iodide SMILES: CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C.[I-]
| PubChem CID | 6284 |
|---|---|
| CAS | 71-81-8 |
| Molecular Weight (g/mol) | 480.434 |
| MDL Number | MFCD00063513 |
| SMILES | CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C.[I-] |
| Synonym | 4-Amino-N,N-diisopropyl-N-methyl-4-oxo-3,3-diphenyl-1-butanaminium Iodide, (3-Carbamoyl-3,3-diphenylpropyl)diisopropylmethylammonium Iodide |
| IUPAC Name | (4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium;iodide |
| InChI Key | BFSMWENDZZIWPW-UHFFFAOYSA-N |
| Molecular Formula | C23H33IN2O |
4-alpha-Cumylphenol 98.0+%, TCI America™
CAS: 599-64-4 Molecular Formula: C15H16O Molecular Weight (g/mol): 212.292 MDL Number: MFCD00002365 InChI Key: QBDSZLJBMIMQRS-UHFFFAOYSA-N Synonym: 4-cumylphenol,p-cumylphenol,4-2-phenylpropan-2-yl phenol,p-cumyl phenol,phenol, 4-1-methyl-1-phenylethyl,4-1-methyl-1-phenylethyl phenol,4-alpha-cumylphenol,4-dimethylphenylmethyl phenol,4-hydroxydiphenyldimethylmethane,2-phenyl-2-4-hydroxyphenyl propane PubChem CID: 11742 ChEBI: CHEBI:35092 IUPAC Name: 4-(2-phenylpropan-2-yl)phenol SMILES: CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O
| PubChem CID | 11742 |
|---|---|
| CAS | 599-64-4 |
| Molecular Weight (g/mol) | 212.292 |
| ChEBI | CHEBI:35092 |
| MDL Number | MFCD00002365 |
| SMILES | CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O |
| Synonym | 4-cumylphenol,p-cumylphenol,4-2-phenylpropan-2-yl phenol,p-cumyl phenol,phenol, 4-1-methyl-1-phenylethyl,4-1-methyl-1-phenylethyl phenol,4-alpha-cumylphenol,4-dimethylphenylmethyl phenol,4-hydroxydiphenyldimethylmethane,2-phenyl-2-4-hydroxyphenyl propane |
| IUPAC Name | 4-(2-phenylpropan-2-yl)phenol |
| InChI Key | QBDSZLJBMIMQRS-UHFFFAOYSA-N |
| Molecular Formula | C15H16O |
2,2'-Methylenebis(4-chlorophenol), TCI America™
CAS: 97-23-4 Molecular Formula: C13H10Cl2O2 Molecular Weight (g/mol): 269.12 MDL Number: MFCD00002322 InChI Key: MDNWOSOZYLHTCG-UHFFFAOYSA-N Synonym: dichlorophen,dichlorophene,dichlorofen,dichlorphen,trivex,2,2'-methylenebis 4-chlorophenol,didroxan,didroxane,anthiphen,antiphen PubChem CID: 3037 ChEBI: CHEBI:34689 IUPAC Name: 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol SMILES: OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O
| PubChem CID | 3037 |
|---|---|
| CAS | 97-23-4 |
| Molecular Weight (g/mol) | 269.12 |
| ChEBI | CHEBI:34689 |
| MDL Number | MFCD00002322 |
| SMILES | OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O |
| Synonym | dichlorophen,dichlorophene,dichlorofen,dichlorphen,trivex,2,2'-methylenebis 4-chlorophenol,didroxan,didroxane,anthiphen,antiphen |
| IUPAC Name | 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol |
| InChI Key | MDNWOSOZYLHTCG-UHFFFAOYSA-N |
| Molecular Formula | C13H10Cl2O2 |
2,2-Bis(4-chloroformyloxyphenyl)propane 97.0+%, TCI America™
CAS: 2024-88-6 Molecular Formula: C17H14Cl2O4 Molecular Weight (g/mol): 353.20 MDL Number: MFCD00060109 InChI Key: MMWCQWOKHLEYSP-UHFFFAOYSA-N Synonym: bisphenol a bis chloroformate,2,2-bis 4-chloroformyloxyphenyl propane,bisphenol a dichloroformate,carbonochloridic acid, 1-methylethylidene di-4,1-phenylene ester,2,2-bis p-chloroformyloxy phenyl propane,carbonochloridic acid, c,c'-1-methylethylidene di-4,1-phenylene ester,isopropylidenedi-p-phenylene bis chloroformate,bisphenol a bischloroformate,bidd:er0407 PubChem CID: 74843 ChEBI: CHEBI:34576 IUPAC Name: 4-(2-{4-[(chlorocarbonyl)oxy]phenyl}propan-2-yl)phenyl carbonochloridate SMILES: CC(C)(C1=CC=C(OC(Cl)=O)C=C1)C1=CC=C(OC(Cl)=O)C=C1
| PubChem CID | 74843 |
|---|---|
| CAS | 2024-88-6 |
| Molecular Weight (g/mol) | 353.20 |
| ChEBI | CHEBI:34576 |
| MDL Number | MFCD00060109 |
| SMILES | CC(C)(C1=CC=C(OC(Cl)=O)C=C1)C1=CC=C(OC(Cl)=O)C=C1 |
| Synonym | bisphenol a bis chloroformate,2,2-bis 4-chloroformyloxyphenyl propane,bisphenol a dichloroformate,carbonochloridic acid, 1-methylethylidene di-4,1-phenylene ester,2,2-bis p-chloroformyloxy phenyl propane,carbonochloridic acid, c,c'-1-methylethylidene di-4,1-phenylene ester,isopropylidenedi-p-phenylene bis chloroformate,bisphenol a bischloroformate,bidd:er0407 |
| IUPAC Name | 4-(2-{4-[(chlorocarbonyl)oxy]phenyl}propan-2-yl)phenyl carbonochloridate |
| InChI Key | MMWCQWOKHLEYSP-UHFFFAOYSA-N |
| Molecular Formula | C17H14Cl2O4 |
3,3-Diphenylpropyl Bromide 98.0+%, TCI America™
CAS: 20017-68-9 Molecular Formula: C15H15Br Molecular Weight (g/mol): 275.19 MDL Number: MFCD00044829 InChI Key: SLHSRCBFPHCSGL-UHFFFAOYSA-N Synonym: 1-bromo-3,3-diphenylpropane,3,3-diphenylpropyl bromide,3-bromo-1,1-diphenylpropane,3-bromopropane-1,1-diyl dibenzene,3-bromo-1-phenylpropyl benzene,3,3-diphenylpropylbromide,1,1'-3-bromopropylidene bisbenzene,benzene, 1,1'-3-bromopropylidene bis,acmc-1cjoi,3,3-diphenyl-1-propylbromide PubChem CID: 88333 IUPAC Name: (3-bromo-1-phenylpropyl)benzene SMILES: BrCCC(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 88333 |
|---|---|
| CAS | 20017-68-9 |
| Molecular Weight (g/mol) | 275.19 |
| MDL Number | MFCD00044829 |
| SMILES | BrCCC(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1-bromo-3,3-diphenylpropane,3,3-diphenylpropyl bromide,3-bromo-1,1-diphenylpropane,3-bromopropane-1,1-diyl dibenzene,3-bromo-1-phenylpropyl benzene,3,3-diphenylpropylbromide,1,1'-3-bromopropylidene bisbenzene,benzene, 1,1'-3-bromopropylidene bis,acmc-1cjoi,3,3-diphenyl-1-propylbromide |
| IUPAC Name | (3-bromo-1-phenylpropyl)benzene |
| InChI Key | SLHSRCBFPHCSGL-UHFFFAOYSA-N |
| Molecular Formula | C15H15Br |
Benzhydrylamine Hydrochloride 98.0+%, TCI America™
CAS: 5267-34-5 Molecular Formula: C13H14ClN Molecular Weight (g/mol): 219.712 MDL Number: MFCD00013023 InChI Key: CIHWJRSPVJBHGT-UHFFFAOYSA-N Synonym: benzhydrylamine hydrochloride,aminodiphenylmethane hydrochloride,benzhydrylamine, hydrochloride,diphenylmethanamine hydrochloride,benzhydrylammonium chloride,aminodiphenylmethane hcl,1,1-diphenylmethylamine hydrochloride,diphenylmethylamine, chloride,benzhydrylamin hydrochloride,bha-polystyrene PubChem CID: 78921 IUPAC Name: diphenylmethanamine;hydrochloride SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N.Cl
| PubChem CID | 78921 |
|---|---|
| CAS | 5267-34-5 |
| Molecular Weight (g/mol) | 219.712 |
| MDL Number | MFCD00013023 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)N.Cl |
| Synonym | benzhydrylamine hydrochloride,aminodiphenylmethane hydrochloride,benzhydrylamine, hydrochloride,diphenylmethanamine hydrochloride,benzhydrylammonium chloride,aminodiphenylmethane hcl,1,1-diphenylmethylamine hydrochloride,diphenylmethylamine, chloride,benzhydrylamin hydrochloride,bha-polystyrene |
| IUPAC Name | diphenylmethanamine;hydrochloride |
| InChI Key | CIHWJRSPVJBHGT-UHFFFAOYSA-N |
| Molecular Formula | C13H14ClN |