Glutaronitrile
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
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
Precursor & DownStream
Precursor
DownStream
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%
Articles
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...