A10000

Acetone cyanohydrin

99%

• Synonym(s): α-Hydroxyisobutyronitrile, 2-Hydroxyisobutyronitrile
• 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

Properties

• vapor pressure: 0.3 psi ( 20 °C)
• Quality Segment: 200
• 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.)
• SMILES string: CC(C)(O)C#N
• InChI: 1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
• InChI key: MWFMGBPGAXYFAR-UHFFFAOYSA-N

Description

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.

Safety Information

• pictograms: GHS06,GHS09
• signalword: Danger
• hcodes: H300 + H310 + H330,H410
• 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: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
• pcodes: P262 - P264 - P273 - P280 - P301 + P310 + P330 - P304 + P340 + P310