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326186

Sigma-Aldrich

Cyclohexanone cyanohydrin

98%

Synonym(s):

1-Hydroxy-1-cyclohexanecarbonitrile

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About This Item

Linear Formula:
HOC6H10CN
CAS Number:
931-97-5
Molecular Weight:
125.17
EC Number:
213-246-0
MDL number:
MFCD00003818
UNSPSC Code:
12352100
PubChem Substance ID:
24859569
NACRES:
NA.22

assay

98%

bp

132 °C/19 mmHg (lit.)

mp

32-35 °C (lit.)

storage temp.

2-8°C

SMILES string

OC1(CCCCC1)C#N

InChI

1S/C7H11NO/c8-6-7(9)4-2-1-3-5-7/h9H,1-5H2

InChI key

ZDBRPNZOTCHLSP-UHFFFAOYSA-N

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General description

Cyclohexanone cyanohydrin is an aromatic cyanohydrin.

Application

Cyclohexanone cyanohydrin was employed as substrate during high-throughput screening assay for hydroxynitrile lyase activity. It was used in preparation of 1-aminomethyl cyclohexanol via catalytic hydrogenation reaction.

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H300

Hazard Classifications

Acute Tox. 2 Oral

Storage Class

6.1B - Non-combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
STBF9125V
S11831V
S11831
10315BE
11922BY

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The Reduction of Cyclohexanone Cyanohydrin by Lithium Aluminum Hydride.
Nace HR and Smith BB.
Journal of the American Chemical Society, 74(7), 1861-1862 (1952)
Jennifer Andexer et al.
Chemical communications (Cambridge, England), (40)(40), 4201-4203 (2006-10-13)
A high-throughput screening assay for hydroxynitrile lyase activity accepting a wide range of HNL-substrates is presented, which is useful either for enzyme fingerprinting or screening of huge variant libraries generated in metagenome or directed evolution approaches.

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