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Merck
CN

D77001

Adiponitrile

99%

Synonym(s):

1,6-hexanedinitrile, ADN, 1,4-Dicyanobutane

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About This Item

Linear Formula:
NC(CH2)4CN
CAS Number:
111-69-3
Molecular Weight:
108.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24894156
EC Number:
203-896-3
Beilstein/REAXYS Number:
1740005
MDL number:
MFCD00001975
Assay:
99%
Form:
liquid

Key Documents

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InChI key

BTGRAWJCKBQKAO-UHFFFAOYSA-N

InChI

1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2

SMILES string

N#CCCCCC#N

vapor density

3.7 (vs air)

vapor pressure

0.01 mmHg ( 40 °C)

assay

99%

form

liquid

autoignition temp.

1022 °F

expl. lim.

4.99 %

Quality Level

100

bp

295 °C (lit.)

mp

1-3 °C (lit.)

density

0.951 g/mL at 25 °C (lit.)

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Application

Adiponitrile is a key precursor for manufacturing nylon-6,6. It can undergo catalytic hydrogenation to form hexamethylenediamine (HMD). ADN shows promising potential as a solvent for electrolyte solutions used in high-voltage lithium batteries due to its high anodic and thermal stability.

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301,H332

Hazard Classifications

Acute Tox. 3 Oral - Acute Tox. 4 Inhalation

Storage Class

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

wgk

WGK 1

flash_point_f

325.4 °F - closed cup

flash_point_c

163 °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
0000519110
0000519110
0000519102
0000519102
0000484129

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J L Moreau et al.
The Analyst, 116(12), 1381-1383 (1991-12-01)
A procedure for the assay of nitrile hydratase and amidase activities by high-performance liquid chromatography is described. The method can be used to assay the intermediate compounds resulting from the hydrolysis of adiponitrile to adipic acid, and to determine the
J L Moreau et al.
Journal of chromatography. B, Biomedical applications, 656(1), 197-202 (1994-06-03)
A procedure for the assay of nitrile hydratase and amidase activity by high-performance liquid chromatography is described. The method can be used to assay the intermediate compounds resulting from the hydrolysis of adiponitrile into adipic acid, and to determine the
Gerald L Kennedy
Drug and chemical toxicology, 27(2), 123-131 (2004-06-17)
Adiponitrile (ADN) has moderate acute toxicity with an oral LD50 in rats of 100 to 500 mg/kg and a 4-hr LC50 in rats of 1.71 mg/L (vapor plus aerosol). ADN produced slight eye but no skin irritation in rabbits. Repeated
The catalytic hydrogenation of adiponitrile to hexamethylenediamine over a rhodium/alumina catalyst in a three phase slurry reactor.
Alini S, et al.
J. Mol. Catal. A: Chem., 206(1-2), 363-370 (2003)
Soo-Jin Yeom et al.
The Biochemical journal, 415(3), 401-407 (2008-04-17)
Nitrilase from Rhodococcus rhodochrous ATCC 33278 hydrolyses both aliphatic and aromatic nitriles. Replacing Tyr-142 in the wild-type enzyme with the aromatic amino acid phenylalanine did not alter specificity for either substrate. However, the mutants containing non-polar aliphatic amino acids (alanine
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