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Merck
CN

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

Key Documents

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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

InChI key

NNICRUQPODTGRU-UHFFFAOYSA-N

InChI

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

SMILES string

OC(C#N)c1ccccc1

grade

technical grade

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCBB6410V
BCBB6459V
BCBB6407V
BCBB6459
BCBB6407

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Nisha Jangir et al.
Bioorganic chemistry, 84, 32-40 (2018-11-28)
Hydroxynitrile lyase (HNL) catalyzed enantioselective CC bond formation is an efficient approach to synthesize chiral cyanohydrins which are important building blocks in the synthesis of a number of fine chemicals, agrochemicals and pharmaceuticals. Immobilization of HNL is known to provide
S K Bhatia et al.
Applied microbiology and biotechnology, 98(1), 83-94 (2013-10-10)
Alcaligenes sp. MTCC 10675 has been isolated from soil sample using enrichment method and has nitrilase catalytic system which is highly specific for the hydrolysis of arylaliphatic nitriles. Optimization of culture conditions using response surface methodology and inducer-mediated approach enhanced
Bryan J Jones et al.
PloS one, 15(6), e0235341-e0235341 (2020-07-01)
Hydroxynitrile lyases (HNL's) belonging to the α/β-hydrolase-fold superfamily evolved from esterases approximately 100 million years ago. Reconstruction of an ancestral hydroxynitrile lyase in the α/β-hydrolase fold superfamily yielded a catalytically active hydroxynitrile lyase, HNL1. Several properties of HNL1 differ from
Anirban Banerjee et al.
Applied microbiology and biotechnology, 72(1), 77-77 (2006-01-05)
(R)-mandelic acid was produced from racemic mandelonitrile using free and immobilized cells of Pseudomonas putida MTCC 5110 harbouring a stereoselective nitrilase. In addition to the optimization of culture conditions and medium components, an inducer feeding approach is suggested to achieve
Zhi-Jun Zhang et al.
Bioprocess and biosystems engineering, 34(3), 315-322 (2010-10-21)
A nitrilase gene from Alcaligenes sp. ECU0401 was cloned and overexpressed in Escherichia coli BL21 (DE3) in a soluble form. The encoded protein with a His₆-tag was purified to nearly homogeneity as revealed by SDS-PAGE with a molecular weight of
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