Benzene and substituted derivatives
Filtered Search Results
tert-Pentylbenzene, 97%
CAS: 2049-95-8 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.249 MDL Number: MFCD00015187 InChI Key: QHTJSSMHBLGUHV-UHFFFAOYSA-N Synonym: tert-amylbenzene,tert-pentylbenzene,2-methyl-2-phenylbutane,1,1-dimethylpropyl benzene,benzene, 1,1-dimethylpropyl,benzene, tert-pentyl,2-phenyl-2-methylbutane,t-amylbenzene,2-methylbutan-2-yl benzene,tert-amyl benzene PubChem CID: 16295 IUPAC Name: 2-methylbutan-2-ylbenzene SMILES: CCC(C)(C)C1=CC=CC=C1
| PubChem CID | 16295 |
|---|---|
| CAS | 2049-95-8 |
| Molecular Weight (g/mol) | 148.249 |
| MDL Number | MFCD00015187 |
| SMILES | CCC(C)(C)C1=CC=CC=C1 |
| Synonym | tert-amylbenzene,tert-pentylbenzene,2-methyl-2-phenylbutane,1,1-dimethylpropyl benzene,benzene, 1,1-dimethylpropyl,benzene, tert-pentyl,2-phenyl-2-methylbutane,t-amylbenzene,2-methylbutan-2-yl benzene,tert-amyl benzene |
| IUPAC Name | 2-methylbutan-2-ylbenzene |
| InChI Key | QHTJSSMHBLGUHV-UHFFFAOYSA-N |
| Molecular Formula | C11H16 |
(+/-)-2-Phenylbutyric acid, 98%, Thermo Scientific Chemicals
CAS: 90-27-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002667 InChI Key: OFJWFSNDPCAWDK-UHFFFAOYSA-N Synonym: 2-phenylbutyric acid,alpha-ethylphenylacetic acid,butyric acid, 2-phenyl,alpha-phenylbutyric acid,benzeneacetic acid, .alpha.-ethyl,alpha-phenyl butyric acid,2-phenylbutyricacid,benzeneacetic acid, alpha-ethyl,2-phenylburyric acid,alpha-toluic acid, alpha-ethyl PubChem CID: 7012 ChEBI: CHEBI:86545 IUPAC Name: 2-phenylbutanoic acid SMILES: CCC(C1=CC=CC=C1)C(=O)O
| PubChem CID | 7012 |
|---|---|
| CAS | 90-27-7 |
| Molecular Weight (g/mol) | 164.204 |
| ChEBI | CHEBI:86545 |
| MDL Number | MFCD00002667 |
| SMILES | CCC(C1=CC=CC=C1)C(=O)O |
| Synonym | 2-phenylbutyric acid,alpha-ethylphenylacetic acid,butyric acid, 2-phenyl,alpha-phenylbutyric acid,benzeneacetic acid, .alpha.-ethyl,alpha-phenyl butyric acid,2-phenylbutyricacid,benzeneacetic acid, alpha-ethyl,2-phenylburyric acid,alpha-toluic acid, alpha-ethyl |
| IUPAC Name | 2-phenylbutanoic acid |
| InChI Key | OFJWFSNDPCAWDK-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
1,3,5-Tri-tert-butylbenzene, 97+%
CAS: 1460-02-2 Molecular Formula: C18H30 Molecular Weight (g/mol): 246.438 MDL Number: MFCD00008831 InChI Key: GUFMBISUSZUUCB-UHFFFAOYSA-N Synonym: 1,3,5-tri-tert-butylbenzene,benzene, 1,3,5-tris 1,1-dimethylethyl,1,3,5-tri-t-butylbenzene,benzene, 1,3,5-tri-tert-butyl,1,3,5-tris tert-butyl benzene,pubchem13719,intermediates-zcf02115,acmc-209cw6,2,4,6-tri-tert-butylphenyl,ksc490m7l PubChem CID: 15089 IUPAC Name: 1,3,5-tritert-butylbenzene SMILES: CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
| PubChem CID | 15089 |
|---|---|
| CAS | 1460-02-2 |
| Molecular Weight (g/mol) | 246.438 |
| MDL Number | MFCD00008831 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C |
| Synonym | 1,3,5-tri-tert-butylbenzene,benzene, 1,3,5-tris 1,1-dimethylethyl,1,3,5-tri-t-butylbenzene,benzene, 1,3,5-tri-tert-butyl,1,3,5-tris tert-butyl benzene,pubchem13719,intermediates-zcf02115,acmc-209cw6,2,4,6-tri-tert-butylphenyl,ksc490m7l |
| IUPAC Name | 1,3,5-tritert-butylbenzene |
| InChI Key | GUFMBISUSZUUCB-UHFFFAOYSA-N |
| Molecular Formula | C18H30 |
4-n-Propylphenylboronic acid, 95%, Thermo Scientific™
CAS: 134150-01-9 Molecular Formula: C9H13BO2 Molecular Weight (g/mol): 164.01 MDL Number: MFCD00859261 InChI Key: WLCGYIWOKVWFLB-UHFFFAOYSA-N Synonym: 4-propylphenyl boronic acid,4-propyl benzeneboronic acid,4-propylphenylboronicacid,4-n-propylphenylboronic acid,4-n-propylbenzeneboronic acid,boronic acid, 4-propylphenyl,pubchem7892,acmc-209btz,4-propylphenyboronic acid PubChem CID: 4100861 IUPAC Name: (4-propylphenyl)boronic acid SMILES: CCCC1=CC=C(C=C1)B(O)O
| PubChem CID | 4100861 |
|---|---|
| CAS | 134150-01-9 |
| Molecular Weight (g/mol) | 164.01 |
| MDL Number | MFCD00859261 |
| SMILES | CCCC1=CC=C(C=C1)B(O)O |
| Synonym | 4-propylphenyl boronic acid,4-propyl benzeneboronic acid,4-propylphenylboronicacid,4-n-propylphenylboronic acid,4-n-propylbenzeneboronic acid,boronic acid, 4-propylphenyl,pubchem7892,acmc-209btz,4-propylphenyboronic acid |
| IUPAC Name | (4-propylphenyl)boronic acid |
| InChI Key | WLCGYIWOKVWFLB-UHFFFAOYSA-N |
| Molecular Formula | C9H13BO2 |
TraceCERT™ Lilial, 2000 μg/mL, Certified Reference Material, MilliporeSigma™ Supelco™
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.
Tyrphostin A9, 98+%
CAS: 10537-47-0 Molecular Formula: C18H22N2O Molecular Weight (g/mol): 282.387 MDL Number: MFCD00209853 InChI Key: MZOPWQKISXCCTP-UHFFFAOYSA-N Synonym: tyrphostin a9,malonoben,tyrphostin 9,malonoben ansi,caswell no. 291aa,2-3,5-di-tert-butyl-4-hydroxybenzylidene malononitrile,unii-87te8mrs65,tyrphostin 9/ag-9,3,5-di-t-butyl-4-hydroxybenzylidene malononitrile,epa pesticide chemical code 537200 PubChem CID: 5614 ChEBI: CHEBI:82168 IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N
| PubChem CID | 5614 |
|---|---|
| CAS | 10537-47-0 |
| Molecular Weight (g/mol) | 282.387 |
| ChEBI | CHEBI:82168 |
| MDL Number | MFCD00209853 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N |
| Synonym | tyrphostin a9,malonoben,tyrphostin 9,malonoben ansi,caswell no. 291aa,2-3,5-di-tert-butyl-4-hydroxybenzylidene malononitrile,unii-87te8mrs65,tyrphostin 9/ag-9,3,5-di-t-butyl-4-hydroxybenzylidene malononitrile,epa pesticide chemical code 537200 |
| IUPAC Name | 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile |
| InChI Key | MZOPWQKISXCCTP-UHFFFAOYSA-N |
| Molecular Formula | C18H22N2O |
4-Fluorophenylacetone, 99%
CAS: 459-03-0 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.17 MDL Number: MFCD00000362 InChI Key: ZUEKIIWSVFBTCM-UHFFFAOYSA-N Synonym: 4-fluorophenylacetone,4-fluorophenyl acetone,1-4-fluorophenyl propan-2-one,1-4-fluorophenyl acetone,1-4-fluorophenyl-2-propanone,2-propanone, 1-4-fluorophenyl,p-fluorophenyl acetone,1-acetonyl-4-fluorobenzene,1-4-fluoro-phenyl-propan-2-one PubChem CID: 521187 IUPAC Name: 1-(4-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(F)C=C1
| PubChem CID | 521187 |
|---|---|
| CAS | 459-03-0 |
| Molecular Weight (g/mol) | 152.17 |
| MDL Number | MFCD00000362 |
| SMILES | CC(=O)CC1=CC=C(F)C=C1 |
| Synonym | 4-fluorophenylacetone,4-fluorophenyl acetone,1-4-fluorophenyl propan-2-one,1-4-fluorophenyl acetone,1-4-fluorophenyl-2-propanone,2-propanone, 1-4-fluorophenyl,p-fluorophenyl acetone,1-acetonyl-4-fluorobenzene,1-4-fluoro-phenyl-propan-2-one |
| IUPAC Name | 1-(4-fluorophenyl)propan-2-one |
| InChI Key | ZUEKIIWSVFBTCM-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO |
(S)-(-)-1-Phenylpropyl isocyanate, 95%
CAS: 164033-12-9 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD05664090 InChI Key: XGPXXSJFZSZULR-JTQLQIEISA-N Synonym: s---1-phenylpropyl isocyanate,s-1-phenylpropyl isocyanate,1s-1-isocyanatopropyl benzene,benzene, 1-isocyanatopropyl-, s,5-1-isocyanatopropyl benzene,s-1-isocyanatopropyl benzene,benzene, 1s-1-isocyanatopropyl PubChem CID: 7018275 IUPAC Name: [(1S)-1-isocyanatopropyl]benzene SMILES: CCC(C1=CC=CC=C1)N=C=O
| PubChem CID | 7018275 |
|---|---|
| CAS | 164033-12-9 |
| Molecular Weight (g/mol) | 161.204 |
| MDL Number | MFCD05664090 |
| SMILES | CCC(C1=CC=CC=C1)N=C=O |
| Synonym | s---1-phenylpropyl isocyanate,s-1-phenylpropyl isocyanate,1s-1-isocyanatopropyl benzene,benzene, 1-isocyanatopropyl-, s,5-1-isocyanatopropyl benzene,s-1-isocyanatopropyl benzene,benzene, 1s-1-isocyanatopropyl |
| IUPAC Name | [(1S)-1-isocyanatopropyl]benzene |
| InChI Key | XGPXXSJFZSZULR-JTQLQIEISA-N |
| Molecular Formula | C10H11NO |
Thermo Scientific Chemicals Anastrozole, 98%
CAS: 120511-73-1 Molecular Formula: C17H19N5 Molecular Weight (g/mol): 293.37 InChI Key: YBBLVLTVTVSKRW-UHFFFAOYSA-N Synonym: anastrozole,arimidex,anastrazole,anastrozol,2,2'-5-1h-1,2,4-triazol-1-yl methyl-1,3-phenylene bis 2-methylpropanenitrile,anastrole,asiolex,zeneca zd 1033,unii-2z07myw1az,arimidex tn PubChem CID: 2187 ChEBI: CHEBI:2704 IUPAC Name: 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile SMILES: CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N
| PubChem CID | 2187 |
|---|---|
| CAS | 120511-73-1 |
| Molecular Weight (g/mol) | 293.37 |
| ChEBI | CHEBI:2704 |
| SMILES | CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N |
| Synonym | anastrozole,arimidex,anastrazole,anastrozol,2,2'-5-1h-1,2,4-triazol-1-yl methyl-1,3-phenylene bis 2-methylpropanenitrile,anastrole,asiolex,zeneca zd 1033,unii-2z07myw1az,arimidex tn |
| IUPAC Name | 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile |
| InChI Key | YBBLVLTVTVSKRW-UHFFFAOYSA-N |
| Molecular Formula | C17H19N5 |
5-tert-Butyl-m-xylene, 98%
CAS: 98-19-1 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.276 MDL Number: MFCD00008832 InChI Key: FZSPYHREEHYLCB-UHFFFAOYSA-N Synonym: 5-tert-butyl-m-xylene,1-tert-butyl-3,5-dimethylbenzene,m-xylene, 5-tert-butyl,1,3-dimethyl-5-tert-butylbenzene,benzene, 1-1,1-dimethylethyl-3,5-dimethyl,5-tert-butyl-1,3-dimethylbenzene,benzene, 5-tert-butyl-1,3-dimethyl,1,3-dimethyl-5-t-butylbenzene,5-t-butyl-1,3-dimethylbenzene,benzene, 1,3-dimethyl-5-1,1-dimethylethyl PubChem CID: 7378 IUPAC Name: 1-tert-butyl-3,5-dimethylbenzene SMILES: CC1=CC(=CC(=C1)C(C)(C)C)C
| PubChem CID | 7378 |
|---|---|
| CAS | 98-19-1 |
| Molecular Weight (g/mol) | 162.276 |
| MDL Number | MFCD00008832 |
| SMILES | CC1=CC(=CC(=C1)C(C)(C)C)C |
| Synonym | 5-tert-butyl-m-xylene,1-tert-butyl-3,5-dimethylbenzene,m-xylene, 5-tert-butyl,1,3-dimethyl-5-tert-butylbenzene,benzene, 1-1,1-dimethylethyl-3,5-dimethyl,5-tert-butyl-1,3-dimethylbenzene,benzene, 5-tert-butyl-1,3-dimethyl,1,3-dimethyl-5-t-butylbenzene,5-t-butyl-1,3-dimethylbenzene,benzene, 1,3-dimethyl-5-1,1-dimethylethyl |
| IUPAC Name | 1-tert-butyl-3,5-dimethylbenzene |
| InChI Key | FZSPYHREEHYLCB-UHFFFAOYSA-N |
| Molecular Formula | C12H18 |
(1S,2S)-2-Amino-1-phenylpropyldiphenylphosphine, 97%, Thermo Scientific™
CAS: 341968-71-6 Molecular Formula: C21H22NP Molecular Weight (g/mol): 319.39 MDL Number: MFCD11044864 InChI Key: JWZAIGGNEGTDMG-AURADERDNA-N Synonym: 1s,2s-1-diphenylphosphino-1-phenylpropan-2-amine,1s,2s-2-amino-1-phenylpropyl diphenylphosphine,1s,2s-2-amino-1-phenylpropyldiphenylphosphine,1s,2s-1-diphenylphosphanyl-1-phenylpropan-2-amine,1s,2s-2-diphenylphosphino-1-methyl-2-phenylethylamine,1s,2s-2-amino-1-phenylpropyl diphenylphosphane,1s,2s-1-diphenylphosphino-1-phenyl-2-propanamine,1s,2s-2-amino-1-phenylpropyldiphenylphosphine,min,s,s-+-2-amino-1-phenylpropyldiphenylphosphine,1s,2s-2-amino-1-phenylpropyl diphenylphosphine, kanata purity PubChem CID: 46176707 IUPAC Name: (1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine SMILES: C[C@H](N)[C@@H](P(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 46176707 |
|---|---|
| CAS | 341968-71-6 |
| Molecular Weight (g/mol) | 319.39 |
| MDL Number | MFCD11044864 |
| SMILES | C[C@H](N)[C@@H](P(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1s,2s-1-diphenylphosphino-1-phenylpropan-2-amine,1s,2s-2-amino-1-phenylpropyl diphenylphosphine,1s,2s-2-amino-1-phenylpropyldiphenylphosphine,1s,2s-1-diphenylphosphanyl-1-phenylpropan-2-amine,1s,2s-2-diphenylphosphino-1-methyl-2-phenylethylamine,1s,2s-2-amino-1-phenylpropyl diphenylphosphane,1s,2s-1-diphenylphosphino-1-phenyl-2-propanamine,1s,2s-2-amino-1-phenylpropyldiphenylphosphine,min,s,s-+-2-amino-1-phenylpropyldiphenylphosphine,1s,2s-2-amino-1-phenylpropyl diphenylphosphine, kanata purity |
| IUPAC Name | (1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine |
| InChI Key | JWZAIGGNEGTDMG-AURADERDNA-N |
| Molecular Formula | C21H22NP |
Benzethonium chloride, 97%
CAS: 121-54-0 Molecular Formula: C27H42ClNO2 MDL Number: MFCD00011742 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M Synonym: benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin PubChem CID: 8478 ChEBI: CHEBI:31264
| PubChem CID | 8478 |
|---|---|
| CAS | 121-54-0 |
| ChEBI | CHEBI:31264 |
| MDL Number | MFCD00011742 |
| Synonym | benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin |
| InChI Key | UREZNYTWGJKWBI-UHFFFAOYSA-M |
| Molecular Formula | C27H42ClNO2 |
3,5-Di-tert-butyltoluene, 98+%, Thermo Scientific Chemicals
CAS: 15181-11-0 Molecular Formula: C15H24 Molecular Weight (g/mol): 204.357 MDL Number: MFCD00026300 InChI Key: WIXDSJRJFDWTNY-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyltoluene,1,3-di-tert-butyl-5-methylbenzene,toluene, 3,5-di-tert-butyl,3,5-bis tert-butyl toluene,benzene, 1,3-bis 1,1-dimethylethyl-5-methyl,3,5-di-t-butyltoluene,3,5-bis t-butyl-1-methylbenzene,3,5-di-tert-butyl-1-methylbenzene,1,3-bis tert-butyl-5-methylbenzene PubChem CID: 84819 IUPAC Name: 1,3-ditert-butyl-5-methylbenzene SMILES: CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
| PubChem CID | 84819 |
|---|---|
| CAS | 15181-11-0 |
| Molecular Weight (g/mol) | 204.357 |
| MDL Number | MFCD00026300 |
| SMILES | CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C |
| Synonym | 3,5-di-tert-butyltoluene,1,3-di-tert-butyl-5-methylbenzene,toluene, 3,5-di-tert-butyl,3,5-bis tert-butyl toluene,benzene, 1,3-bis 1,1-dimethylethyl-5-methyl,3,5-di-t-butyltoluene,3,5-bis t-butyl-1-methylbenzene,3,5-di-tert-butyl-1-methylbenzene,1,3-bis tert-butyl-5-methylbenzene |
| IUPAC Name | 1,3-ditert-butyl-5-methylbenzene |
| InChI Key | WIXDSJRJFDWTNY-UHFFFAOYSA-N |
| Molecular Formula | C15H24 |
2-Bromophenylacetone, 99%
CAS: 21906-31-0 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.08 MDL Number: MFCD03410431 InChI Key: TZIAZLUAMDLDJF-UHFFFAOYSA-N Synonym: 2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388 PubChem CID: 2734092 IUPAC Name: 1-(2-bromophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1Br
| PubChem CID | 2734092 |
|---|---|
| CAS | 21906-31-0 |
| Molecular Weight (g/mol) | 213.08 |
| MDL Number | MFCD03410431 |
| SMILES | CC(=O)CC1=CC=CC=C1Br |
| Synonym | 2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388 |
| IUPAC Name | 1-(2-bromophenyl)propan-2-one |
| InChI Key | TZIAZLUAMDLDJF-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |
3,5-Di-tert-butylbenzoic acid, 99%
CAS: 16225-26-6 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00082727 InChI Key: NCTSLPBQVXUAHR-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylbenzoic acid,3,5-di-t-butylbenzoic acid,3,5-ditertbutylbenzoic acid,3,5-di-tert-butylbenzoicacid,3,5-bis tert-butyl benzoic acid,benzoic acid, 3,5-bis 1,1-dimethylethyl,pubchem4953,acmc-209do2,3,5-di-tertbutylbenzoic acid,ksc494i2n PubChem CID: 85339 IUPAC Name: 3,5-ditert-butylbenzoic acid SMILES: CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(C)(C)C
| PubChem CID | 85339 |
|---|---|
| CAS | 16225-26-6 |
| Molecular Weight (g/mol) | 234.339 |
| MDL Number | MFCD00082727 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(C)(C)C |
| Synonym | 3,5-di-tert-butylbenzoic acid,3,5-di-t-butylbenzoic acid,3,5-ditertbutylbenzoic acid,3,5-di-tert-butylbenzoicacid,3,5-bis tert-butyl benzoic acid,benzoic acid, 3,5-bis 1,1-dimethylethyl,pubchem4953,acmc-209do2,3,5-di-tertbutylbenzoic acid,ksc494i2n |
| IUPAC Name | 3,5-ditert-butylbenzoic acid |
| InChI Key | NCTSLPBQVXUAHR-UHFFFAOYSA-N |
| Molecular Formula | C15H22O2 |