Glutaronitrile

Modify Date: 2024-01-11 20:08:43

Glutaronitrile Structure
Glutaronitrile structure
 Common Name Glutaronitrile
CAS Number 544-13-8 Molecular Weight 94.115
Density 1.0±0.1 g/cm3 Boiling Point 287.3±13.0 °C at 760 mmHg
Molecular Formula C5H6N2 Melting Point −29 °C(lit.)
MSDS Chinese USA Flash Point 148.4±13.7 °C
Symbol GHS06
GHS06		 Signal Word Danger

 Names

Name Glutaronitrile
Synonym More Synonyms

 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

 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
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

 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%

 Articles4

More Articles
Complexation of uranium(VI) with glutarimidoxioxime: thermodynamic and computational studies.

Dalton Trans. 44 , 13835-44, (2015)

The complex formation between a cyclic ligand glutarimidoxioxime (denoted as HL(III) in this paper) and UO2(2+) is studied by potentiometry and microcalorimetry. Glutarimidoxioxime (HL(III)), together...
Interaction of High Flash Point Electrolytes and PE-Based Separators for Li-Ion Batteries.

Int. J. Mol. Sci. 16 , 20258-76, (2015)

In this study, promising electrolytes for use in Li-ion batteries are studied in terms of interacting and wetting polyethylene (PE) and particle-coated PE separators. The electrolytes are characterize...
Molecular diffusion and dc conductivity perfectly correlated with molecular rotational dynamics in a plastic crystalline electrolyte.

Phys. Chem. Chem. Phys. 17 , 16053-7, (2015)

We probe the ionic conduction and the molecular dynamics in a pure and lithium-salt doped dinitrile molecular plastic crystal. While the diffusion of the Li(+) ions is decoupled from the molecular reo...

 Synonyms

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
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