Glutaronitrile

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Names

[ CAS No. ]:
544-13-8

[ Name ]:
Glutaronitrile

[Synonym ]:
1,3-DICYANOPROPANE
Glutarodinitrile
Pentanedinitrlie
Pentanedinitrile
Glutaric dinitrile
3-thiaglutaronitrile
EINECS 208-861-6
glutaric acid dinitrile
Glutaronitrile
Glutarsaeuredinitril
TRIMETHYLENE CYANIDE
Glutaronitrle
1,3-Dicyanopopane.
MFCD00001970

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
287.3±13.0 °C at 760 mmHg

[ Melting Point ]:
−29 °C(lit.)

[ Molecular Formula ]:
C₅H₆N₂

[ Molecular Weight ]:
94.115

[ Flash Point ]:
148.4±13.7 °C

[ Exact Mass ]:
94.053101

[ PSA ]:
47.58000

[ LogP ]:
-0.72

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.425

[ Water Solubility ]:
soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YI3500000

CHEMICAL NAME :: 1,3-Trimethylenedinitrile

CAS REGISTRY NUMBER :: 544-13-8

BEILSTEIN REFERENCE NO. :: 1738385

LAST UPDATED :: 199710

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C5-H6-N2

MOLECULAR WEIGHT :: 94.13

WISWESSER LINE NOTATION :: NC3CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 266 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PHLIDQ Pharmacochemistry Library. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1977- Volume(issue)/page/year: 8,73,1985

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Gastrointestinal - nausea or vomiting

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 3,77,1897

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 18 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - convulsions or effect on seizure threshold

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 3,77,1897

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Bird - pigeon

DOSE/DURATION :: 1200 mg/kg

TOXIC EFFECTS :: Gastrointestinal - nausea or vomiting

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 3,77,1897

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 3 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 3,77,1897

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H312 + H332

[ Precautionary Statements ]:
P280-P301 + P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22;R36/38

[ Safety Phrases ]:
S36/37-S36/37/39-S26

[ RIDADR ]:
UN 2810 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
YI3500000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

POTASSIUM CYANIDE
1,3-Dibromopropane
2-phenylsulphonylglutaronitrile
1,3-Propandiol-bis-benzolsulfonat
Sodium cyanide
Acrylonitrile
Acetonitrile
1,2-diphenyldiazene
1,3-Propanediol,1,3-dimethanesulfonate
(E)-Pent-2-endinitril

DownStream

1-Piperazinebutanenitrile(9CI)
Piperidine
Cadaverine
Ammonia
4-Cyanobutanoic acid
Glutaric acid
N-[6-(hydroxyamino)-4,5-dihydro-3H-pyridin-2-ylidene]hydroxylamine
2-Piperidone
Piperidine hydrochloride
2-aminopentanedinitrile

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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