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A10000

Acetone cyanohydrin

99%

Synonym(s):

α-Hydroxyisobutyronitrile, 2-Hydroxyisobutyronitrile

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About This Item

Linear Formula:
(CH3)2C(OH)CN
CAS Number:
75-86-5
Molecular Weight:
85.10
UNSPSC Code:
12352100
NACRES:
NA.02
PubChem Substance ID:
24890489
EC Number:
200-909-4
Beilstein/REAXYS Number:
605391
MDL number:
MFCD00004455
Assay:
99%
Form:
liquid
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vapor pressure

0.3 psi ( 20 °C)

Quality Segment

assay

99%

form

liquid

contains

H3PO4 as stabilizer (Europe), sulfuric acid as stabilizer (US)

expl. lim.

11 %

refractive index

n20/D 1.399 (lit.)

bp

82 °C/23 mmHg (lit.)

mp

−19 °C (lit.)

density

0.932 g/mL at 25 °C (lit.)

functional group

hydroxyl, nitrile

SMILES string

CC(C)(O)C#N

InChI

1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3

InChI key

MWFMGBPGAXYFAR-UHFFFAOYSA-N

General description

Acetone cyanohydrin serves as a source of hydrogen cyanide in the Mitsunobu reaction. Also an intermediate for methacrylamide synthesis.

Application

Acetone cyanohydrin can be used as a cyanide source for:
  • Cyanation reactions of aryl halides, aldehydes and alcohols.
  • Stereospecific epoxide ring opening.
  • Strecker reaction of α-amido sulfones to synthesize α-amino nitriles.

Pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

Signal Word

Danger

Hazard Classifications

Acute Tox. 1 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

Flash Point (°F)

167.0 °F - closed cup

Flash Point (°C)

75 °C - closed cup

PPE (personal protective equipment)

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

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