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269212

Pyruvonitrile

90%

Synonym(s):

2-Oxopropionitrile, Acetyl cyanide

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About This Item

Linear Formula:
CH3COCN
CAS Number:
631-57-2
Molecular Weight:
69.06
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24856317
MDL number:
MFCD00001838
Beilstein/REAXYS Number:
1737633
Assay:
90%
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Quality Segment

assay

90%

refractive index

n20/D 1.376 (lit.)

bp

92-93 °C (lit.)

density

0.974 g/mL at 25 °C (lit.)

functional group

ketone, nitrile

storage temp.

2-8°C

SMILES string

CC(=O)C#N

InChI

1S/C3H3NO/c1-3(5)2-4/h1H3

InChI key

QLDHWVVRQCGZLE-UHFFFAOYSA-N

General description

The infrared spectra of pyruvonitrile was studied.
may contain ca. 5% mesitylene

Application

Pyruvonitrile was used in the synthesis of cuprate-carbonyl π-complexes by reaction with Me2CuLi in THF.

Pictograms

FlameSkull and crossbones
GHS02,GHS06

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 3 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class

3 - Flammable liquids

WGK

WGK 3

Flash Point (°F)

57.2 °F - closed cup

Flash Point (°C)

14 °C - closed cup

PPE (personal protective equipment)

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

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