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116025

Mandelonitrile

technical grade

Synonym(s):

α-Hydroxyphenylacetonitrile, Benzaldehyde cyanohydrin, Mandelic acid nitrile

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About This Item

Linear Formula:
C6H5CH(OH)CN
CAS Number:
532-28-5
Molecular Weight:
133.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24847259
EC Number:
208-532-7
Beilstein/REAXYS Number:
2207122
MDL number:
MFCD00004487
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grade

technical grade

refractive index

n20/D 1.530 (lit.)

bp

170 °C (lit.)

solubility

alcohol: freely soluble, chloroform: freely soluble, diethyl ether: freely soluble

density

1.117 g/mL at 25 °C (lit.)

functional group

hydroxyl, nitrile, phenyl

SMILES string

OC(C#N)c1ccccc1

InChI

1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H

InChI key

NNICRUQPODTGRU-UHFFFAOYSA-N

Application

Mandelonitrile has been used to extract mandeloamide by the nitrilase variants.

pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Dam. 1

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

206.6 °F - closed cup

flash_point_c

97 °C - closed cup

ppe

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

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