2-Pentenenitrile - CAS 13284-42-9

Name: 2-Pentenenitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	(E)-pent-2-enenitrile
Description:	2-Pentenenitrile (CAS# 13284-42-9) is used as a storage stabilizer for curable cyclotetrasiloxane-terminated polymers. It also is used as an electrolyte for secondary batteries capable of preventing electrolyte decomposition and suppressing gas generation.
Molecular Weight:	81.12
Molecular Formula:	C5H7N
Canonical SMILES:	CCC=CC#N
InChI:	InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3+
InChI Key:	ISBHMJZRKAFTGE-ONEGZZNKSA-N
Boiling Point:	112 °C at 760 mmHg
Flash Point:	73.8 °F
Purity:	95 %
Density:	0.821 g/mL at 20 °C (lit.)
Appearance:	Clear yellow liquid.
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00001936
LogP:	1.47618
Vapor Pressure:	6 mmHg at 77 °F ; 110 mmHg at 122 °F; 134 mmHg at 158 °F

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113264847-A	Preparation method of adiponitrile	20210423
CN-111801834-A	Electrolyte solution, and electrochemical device and electronic device using same	20200601
CN-111423366-A	Preparation method of pirfenidone	20200428
JP-2020143060-A	Non-aqueous electrolyte solution and non-aqueous electrolyte battery using it	20200407
JP-6851527-B2	Non-aqueous electrolyte solution and non-aqueous electrolyte battery using it	20200407

PMID	Publication Date	Title	Journal
22546275	20120620	Vestibular toxicity of cis-2-pentenenitrile in the rat	Toxicology letters
22051853	20120125	Role of CYP2E1-mediated metabolism in the acute and vestibular toxicities of nineteen nitriles in the mouse	Toxicology letters
16931438	20060101	Oral toxicity study of 2-pentenenitrile in rats with reproductive toxicity screening test	Drug and chemical toxicology
15046778	20040601	Effects of aliphatic nitriles in micromass cultures of rat embryo limb bud cells	Toxicology in vitro : an international journal published in association with BIBRA
11245407	20010301	The ototoxic effects induced in rats by treatment for 12 weeks with 2-butenenitrile, 3-butenenitrile and cis-2-pentenenitrile	Pharmacology & toxicology

Complexity:	83.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	81.057849228
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	81.057849228
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2