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77005

Sigma-Aldrich

2-Pentenenitrile

technical, ~70% (GC)

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About This Item

Linear Formula:
CH3CH2CH=CHCN
CAS Number:
13284-42-9
Molecular Weight:
81.12
Beilstein/REAXYS Number:
1719854
EC Number:
236-297-0
MDL number:
MFCD00001936
UNSPSC Code:
12352100
PubChem Substance ID:
57652672

grade

technical

assay

~70% (GC)

refractive index

n20/D 1.422

bp

122-127 °C (lit.)

density

0.821 g/mL at 20 °C (lit.)

SMILES string

CC\C=C\C#N

InChI

1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3+

InChI key

ISBHMJZRKAFTGE-ONEGZZNKSA-N

pictograms

FlameSkull and crossbones
GHS02,GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

75.2 °F - closed cup

flash_point_c

24 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCBL9529V

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H Tanii et al.
Archives of toxicology, 64(3), 231-236 (1990-01-01)
The effect of crotononitrile (4.22 mmol/kg, CRN) or 2-pentenenitrile (2.00 mmol/kg, 2-PN), which exhibit long-term dyskinesia, was examined on the metabolism of serotonin (5-HT) and dopamine (DA) in five brain regions of mice 1, 5, 12 and 35 days after
J M Lewis et al.
Drug and chemical toxicology, 29(4), 345-361 (2006-08-26)
A combined repeated-dose toxicity study with reproduction was conducted with 2-pentenenitrile (2-PN). Rats (10/sex per dose level) were dosed with 2-PN once daily by gavage at dose levels of either 0, 1, 3, or 10 mg kg(-1) day(-1) for 28
H Tanii et al.
Neurotoxicology, 10(2), 157-165 (1989-01-01)
A single oral dose of crotononitrile or 2-pentenenitrile induced behavioral abnormalities such as circling, hyperactivity and head twitching. Crotononitrile induced the abnormalities in both olive oil- and CCl4 pretreated mice, whereas 2-pentenenitrile induced the abnormalities only in CCl4-pretreated mice. Seven
H Tanii et al.
Neuropharmacology, 30(8), 887-892 (1991-08-01)
A single oral administration of allylnitrile, crotononitrile or 2-pentenenitrile in rats induced behavioral abnormalities, such as head-twitching, head weaving, hindlimb abduction, backward pedaling and pivoting. The head-twitching, which was most consistently observed, was suppressed by serotonin (5-HT) antagonists, cyproheptadine or
Beibei Guo et al.
ChemCatChem, 10(13), 2868-2872 (2018-09-29)
Water addition to α,β-unsaturated nitriles would give facile access to the β-hydroxy-nitriles, which in turn can be hydrogenated to the γ-amino alcohols. We have previously shown that alcohols readily add in 1,4-fashion to these substrates using Milstein's Ru(PNN) pincer complex
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