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trans-4-Methyl-β-nitrostyrene

trans-4-Methyl-β-nitrostyrene - CAS 5153-68-4

Catalog:	BB027482
Product Name:	trans-4-Methyl-β-nitrostyrene
CAS:	5153-68-4
Synonyms:	1-methyl-4-[(E)-2-nitroethenyl]benzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-methyl-4-[(E)-2-nitroethenyl]benzene
Description:	trans-4-Methyl-β-nitrostyrene (CAS# 5153-68-4) is a useful research chemical.
Molecular Weight:	163.17
Molecular Formula:	C9H9NO2
Canonical SMILES:	CC1=CC=C(C=C1)C=C[N+](=O)[O-]
InChI:	InChI=1S/C9H9NO2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3/b7-6+
InChI Key:	JSPNBERPFLONRX-VOTSOKGWSA-N
Boiling Point:	275.017 °C at 760 mmHg
Density:	1.141 g/cm³
MDL:	MFCD00024828
LogP:	2.76560

Publication Number	Title	Priority Date
CN-111217707-A	preparation method of Î² -trans-nitroolefin	20200317
US-2021298295-A1	Compounds and compositions for nematode treatment	20200221
CN-111116613-B	Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof	20191213
CN-110627725-A	4-substituted 5-difluoromethyl-3-nitro-1H-pyrazole compound and preparation method and application thereof	20191014
CN-109336794-B	Synthetic method of aryl vinyl trifluoro methyl sulfide compound	20181121

PMID	Publication Date	Title	Journal
20850977	20101101	The synthesis and biologic evaluation of anti-platelet and cytotoxic β-nitrostyrenes	Bioorganic & medicinal chemistry
17574419	20070815	Synthesis and biological evaluation of N-acetyl-beta-aryl-1,2-didehydroethylamines as new HIV-1 RT inhibitors in vitro	Bioorganic & medicinal chemistry letters
17557142	20070501	Selected technologies to control genes and their products for experimental and clinical purposes	Archivum immunologiae et therapiae experimentalis
12082027	20020601	Low amounts of the DNA repair XPA protein are sufficient to recover UV-resistance	Carcinogenesis

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Related Functional Groups

Alkenes

[64437-48-5]
(Z)-10-Hexadecenol
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[62972-93-4]
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[4984-01-4]
3,7-Dimethyl-1-octene
[373-49-9]
Palmitoleic acid
[6721-80-8]
Ethyl 2-(allylamino)-4-methylthiazole-5-carboxylate

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	163.063328530
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.063328530
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7