Basic information
- CAS
29816-55-5- Standard SMILES
C/C(=C\c1ccc(C)cc1)[N+](=O)[O-]- InChIKey
JEKFDNFWPBWEKO-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Overview
See also: Beta,4-dimethyl-beta-nitrostyrene (annotation moved to).
Names & identifiers
- Preferred name
- 4-Methyl-beta-methyl-beta-nitrostyrene
- IUPAC
- 1-methyl-4-[(E)-2-nitroprop-1-enyl]benzene
- English name
- 1-(4-Methylphenyl)-2-nitropropene
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
29816-55-552287-56-64-Methyl-beta-methyl-beta-nitrostyrene1-(4-Methylphenyl)-2-nitropropene4-Methylphenylnitropropene1-methyl-4-(2-nitroprop-1-en-1-yl)benzene1-methyl-4-[(E)-2-nitroprop-1-enyl]benzeneMFCD000248171-methyl-4-[(1E)-2-nitroprop-1-en-1-yl]benzene(E)-1-methyl-4-(2-nitroprop-1-en-1-yl)benzeneNSC936841-Methyl-4-(2-nitro-1-propen-1-yl)benzene
Show more names
2-nitro-1-p-tolyl-propene4-Metyl-1-phenyl-2-nitropropeneBETA,4-DIMETHYL-BETA-NITROSTYRENE1- (4-methylphenyl) -2-Nitropropen1-(4-METHYLPHENYL)-2-NITROPROPENE, >95%Benzene, 1-methyl-4-(2-nitro-1-propen-1-yl)-Pharmaceuticals 4-Metyl-1-Phenyl-2-Nitropropene
CHEMBL1269703SCHEMBL27946453Toluene, p-(2-nitropropenyl)-NSC-93684STK752459AKOS005615736AC-5298FM66640
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 55 °C · 55 °C
- Boiling point
- 135 · 135-139 °C(Press: 10 Torr)
- Density
- 1.112 · 1.112±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers14 total
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
河北茹麒科技有限公司176-03256889 17603256889 · [email protected]
青岛君之道生物技术有限公司0532-87118899 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
山西耐普进出口有限公司+86-13734021967 13734021967 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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