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D77001

Sigma-Aldrich

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
Beilstein/REAXYS Number:
1740005
EC Number:
203-896-3
MDL number:
MFCD00001975
UNSPSC Code:
12352100
PubChem Substance ID:
24894156
NACRES:
NA.22

vapor density

3.7 (vs air)

Quality Level

100

vapor pressure

0.01 mmHg ( 40 °C)

assay

99%

form

liquid

autoignition temp.

1022 °F

expl. lim.

4.99 %

refractive index

n20/D 1.438 (lit.)

bp

295 °C (lit.)

mp

1-3 °C (lit.)

density

0.951 g/mL at 25 °C (lit.)

SMILES string

N#CCCCCC#N

InChI

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

InChI key

BTGRAWJCKBQKAO-UHFFFAOYSA-N

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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_germany

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ6123
MKCK3019
MKCF2834
MKBZ5565V
MKBZ5568V

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Inhalation toxicity of adiponitrile in rats.
L W Smith et al.
Toxicology and applied pharmacology, 65(2), 257-263 (1982-09-15)
Jian-Jun Dai et al.
ChemSusChem, 5(4), 617-620 (2012-03-24)
Current affairs: Adiponitrile, used to produce nylon 6.6, is prepared from the renewable compound glutamic acid by an electrochemical route, involving electro-oxidative decarboxylation and Kolbe coupling reactions. The new route is an example of the use of glutamic acid as
F R Johannsen et al.
Fundamental and applied toxicology : official journal of the Society of Toxicology, 7(1), 33-40 (1986-07-01)
Acetonitrile (ACN), adiponitrile (ADN), and propionitrile (PN), were evaluated for embryotoxic and teratogenic potential in rats. Mated Sprague-Dawley rats were administered one of the three nitriles by gavage on gestation Days 6-19, inclusive. Daily dosage levels (mg/kg body wt) were:
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
Electrolyte formulations based on dinitrile solvents for high voltage Li-ion batteries.
Duncan H, et al.
Journal of the Electrochemical Society, 160(6), A838-A848 (2013)
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