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
Canonical 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.
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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