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Key Documents

109924

Sigma-Aldrich

3-Hydroxypropionitrile

97%

Synonym(s):

2-Cyanoethanol, Ethylene cyanohydrin, Hydracrylonitrile

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About This Item

Linear Formula:
HOCH2CH2CN
CAS Number:
Molecular Weight:
71.08
Beilstein:
635773
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor density

2.5 (vs air)

Quality Level

vapor pressure

<0.1 mmHg ( 20 °C)

Assay

97%

autoignition temp.

922 °F

expl. lim.

12.1 %

refractive index

n20/D 1.425 (lit.)

bp

228 °C (lit.)

mp

−46 °C (lit.)

density

1.04 g/mL at 25 °C (lit.)

functional group

hydroxyl
nitrile

SMILES string

OCCC#N

InChI

1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2

InChI key

WSGYTJNNHPZFKR-UHFFFAOYSA-N

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General description

3-Hydroxypropionitrile, at low 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) surface excesses, has the phospholipid oriented with the polar headgroups pointing out of the solution.

3-Hydroxypropionitrile serves as an intermediate through nucleophilic addition or hydrogenation to synthesize heterocyclic rings, mercaptopropanoic acid, or cyclophosphamide.

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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