00873

(R)-α-Acetoxyphenylacetonitrile

≥97.0% (sum of enantiomers, GC)

• Synonym(s): (R)-α-Cyanobenzyl acetate, O-Acetyl-D-mandelonitrile
• Empirical Formula (Hill Notation): C₁₀H₉NO₂
• CAS Number: 119718-89-7
• Molecular Weight: 175.18
• Beilstein/REAXYS Number: 4293296
• MDL number: MFCD00191699
• UNSPSC Code: 12352108
• PubChem Substance ID: 329747153
• NACRES: NA.22

Properties

• assay: ≥97.0% (sum of enantiomers, GC)
• optical activity: [α]20/D +8.0±0.5°, c = 10% in chloroform
• refractive index: n20/D 1.506
• density: 1.115 g/mL at 20 °C (lit.)
• SMILES string: CC(=O)O[C@@H](C#N)c1ccccc1
• InChI: 1S/C10H9NO2/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3/t10-/m0/s1
• InChI key: MUXDFYRMYMEGCM-JTQLQIEISA-N

Description

Application

(R)-α-Acetoxyphenylacetonitrile can be used as a model compound in the iodine promoted as well as t-BuONO-assisted secondary amides synthesis via an aryl N-addition reaction to the -CN group of nitriles.[1]

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332,H315,H319,H335
• pcodes: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter