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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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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
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)
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
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