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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:
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

Signal Word

Danger

Hazard Statements

H301,H332

Hazard Classifications

Acute Tox. 3 Oral - Acute Tox. 4 Inhalation

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
0000324364
0000324364
0000207832
0000248909
0000191483

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Raghuraj Rao et al.
Analytica chimica acta, 599(1), 24-35 (2007-09-04)
Multivariate calibration problems often involve the identification of a meaningful subset of variables, from a vast number of variables for better prediction of output variables. A new graph theoretic method based on partial correlations (variable interaction network-VIN) is proposed. Many
O L Dashiell et al.
Journal of applied toxicology : JAT, 4(6), 320-325 (1984-12-01)
Nine chemicals, with a range from extremely to slightly toxic, were used to measure the oral LD50 in both fasted (24-h) and non-fasted rats. Each chemical was tested as a solution or suspension in corn oil, responses within 14 days
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
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
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