4-Nitrostyrene - CAS 100-13-0

Catalog:	BB000096
Product Name:	4-Nitrostyrene
CAS:	100-13-0
Synonyms:	1-ethenyl-4-nitrobenzene; 1-ethenyl-4-nitrobenzene

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1-ethenyl-4-nitrobenzene
Description:	4-Nitrostyrene (CAS# 100-13-0) is a useful research chemical.
Molecular Weight:	149.15
Molecular Formula:	C8H7NO2
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 ℃ / 10 mmHg
Melting Point:	20 ℃
Flash Point:	109°C
Purity:	> 98.0 % (GC)
Density:	1.163 g/cm³
Appearance:	Light yellow to yellow powder to lump
Storage:	< 0 ℃
LogP:	2.76100
Refractive Index:	1.6045

Publication Number	Title	Priority Date
CN-113354582-A	Method for catalytically synthesizing 1, 2-dihydroisoquinoline compounds by using iridium complexes	20210628
CN-113262195-A	Face cream containing stem cell exosomes and preparation method thereof	20210602
CN-113307749-A	Method for synthesizing beta-ketosulfone derivative under mild condition and obtained beta-ketosulfone derivative	20210526
CN-113307753-A	Preparation method of thioether derivative	20210524
CN-113264957-A	Preparation method of beta-trifluoromethyl thioester compound	20210510

PMID	Publication Date	Title	Journal
20857985	20101014	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	20080514	Inactivation of epoxide hydrolase by catalysis-induced formation of isoaspartate	FEBS letters
12948204	20030807	An experimental and theoretical study on the substituent effect of the permanganate oxidation of styrenes	Organic & biomolecular chemistry
12651252	20030301	Synthesis of p, p'-divinylazobenzene	Di 1 jun yi da xue xue bao = Academic journal of the first medical college of PLA

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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DBCO-PEG4-NHS ester
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine

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GHS Hazard Statement:	H302+H312+H332 (16.67%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.047678466
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	149.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8