4-Nitrostyrene
Product Information
Molecular Formula
C8H7NO2
Molecular Weight
149.15
Description
4-Nitrostyrene (CAS# 100-13-0) is a useful research chemical.
Synonyms
1-ethenyl-4-nitrobenzene; 1-ethenyl-4-nitrobenzene
IUPAC Name
1-ethenyl-4-nitrobenzene
SMILES
C=CC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2
InChI Key
YFZHODLXYNDBSM-UHFFFAOYSA-N
Boiling Point
120 °C / 10 mmHg
Melting Point
20 °C
Flash Point
109°C
Purity
> 98.0 % (GC)
Density
1.163 g/cm3
Appearance
Light yellow to yellow powder to lump
Storage
< 0 °C
Refractive Index
1.6045
LogP
2.76100
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
2.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
149.047678466 g/mol
Monoisotopic Mass
149.047678466 g/mol
Topological Polar Surface Area
45.8Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
154
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114014858-A | Process for preparing polysubstituted indolizine derivatives | 2021-12-03 |
| CA-3132224-A1 | Process for synthesis of acidic salts of amines from a-amino acids and_formulation comprising such amine acidic salts | 2021-09-28 |
| CN-113636940-A | Method for preparing nitrostyrene by selective catalytic hydrogenation of nitrobenzene acetylene | 2021-08-13 |
| CN-113578301-A | Preparation method of cuprous phosphide-carbon dot-copper ternary composite photocatalyst | 2021-07-28 |
| CN-113354582-A | Method for catalytically synthesizing 1, 2-dihydroisoquinoline compounds by using iridium complexes | 2021-06-28 |
| CN-113262195-A | Face cream containing stem cell exosomes and preparation method thereof | 2021-06-02 |
| CN-113398924-A | Metal catalyst and preparation and application thereof | 2021-05-28 |
| CN-113307749-A | Method for synthesizing beta-ketosulfone derivative under mild condition and obtained beta-ketosulfone derivative | 2021-05-26 |
| CN-113403636-A | Synthetic method of alpha, beta-dichlorobenzene sulfoxide compound | 2021-05-26 |
| CN-113307753-A | Preparation method of thioether derivative | 2021-05-24 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20857985 | 2010-10-14 | Photobehavior of the geometrical isomers of two 1,4-distyrylbenzene analogues with side groups of different electron donor/acceptor character | The journal of physical chemistry. A |
| 18406355 | 2008-05-14 | Inactivation of epoxide hydrolase by catalysis-induced formation of isoaspartate | FEBS letters |
| 12948204 | 2003-08-07 | An experimental and theoretical study on the substituent effect of the permanganate oxidation of styrenes | Organic & biomolecular chemistry |
| 12651252 | 2003-03-01 | Synthesis of p, p'-divinylazobenzene | Di 1 jun yi da xue xue bao = Academic journal of the first medical college of PLA |
