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Key Documents

306118

Sigma-Aldrich

3-Pentenenitrile, predominately trans

95%

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About This Item

Linear Formula:
CH3CH=CHCH2CN
CAS Number:
Molecular Weight:
81.12
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor pressure

24.9 mmHg ( 50 °C)

Quality Level

Assay

95%

form

liquid

refractive index

n20/D 1.422 (lit.)

bp

144-147 °C (lit.)

density

0.837 g/mL at 25 °C (lit.)

SMILES string

[H]\C(C)=C(\[H])CC#N

InChI

1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3/b3-2+

InChI key

UVKXJAUUKPDDNW-NSCUHMNNSA-N

General description

The infrared spectra of solid, gaseous and liquid and solid trans 3-pentenenitrile were studied.

Application

trans-3-Pentenenitrile was used to study the sensory and motor conduction velocities (SCV and MCV) and amplitudes of the motor and sensory action potentials (AMAP and ASAP) of the tail nerve in male Sprague-Dawley rats.

Legal Information

DuPont product

Pictograms

FlameSkull and crossbones

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

104.0 °F - closed cup

Flash Point(C)

40 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Conformational stability from variable temperature FT-IR spectra of xenon solutions and ab initio calculations of trans-3-pentenenitrile and 3-methyl-3-butene nitrile.
Journal of Molecular Structure, 563, 551-554 (2001)
F Gagnaire et al.
Journal of applied toxicology : JAT, 18(1), 25-31 (1998-04-04)
Motor and sensory conduction velocities (MCV and SCV) and amplitudes of the sensory and motor action potentials (ASAP and AMAP) of the tail nerve were studied in male Sprague-Dawley rats during chronic oral treatment with five unsaturated aliphatic nitriles. Rats

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