2-Methylglutaronitrile

Names

[ CAS No. ]:
4553-62-2

[ Name ]:
2-Methylglutaronitrile

[Synonym ]:
1,3-Dicyanobutane
MFCD00001875
2-METHYLGLUTARONITRILE
EINECS 224-923-5
2-methylpentanedinitrile

Chemical & Physical Properties

[ Density]:
0.95 g/mL at 25 °C(lit.)

[ Boiling Point ]:
269-271 °C(lit.)

[ Melting Point ]:
−45 °C(lit.)

[ Molecular Formula ]:
C₆H₈N₂

[ Molecular Weight ]:
108.14100

[ Flash Point ]:
>230 °F

[ Exact Mass ]:
108.06900

[ PSA ]:
47.58000

[ LogP ]:
1.44986

[ Index of Refraction ]:
n20/D 1.434(lit.)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YV8140000

CHEMICAL NAME :: 1,5-Valerodinitrile, 2-methyl-

CAS REGISTRY NUMBER :: 4553-62-2

BEILSTEIN REFERENCE NO. :: 1741955

LAST UPDATED :: 199712

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C6-H8-N2

MOLECULAR WEIGHT :: 108.16

WISWESSER LINE NOTATION :: NCYU1&2CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 400 mg/kg

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

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 34 mg/kg

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

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

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

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 10 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - excitement Lungs, Thorax, or Respiration - cyanosis

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 1 mg/plate

REFERENCE :: EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 11(Suppl 12),1,1988

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301 + H311-H330

[ Precautionary Statements ]:
P260-P280-P284-P301 + P310-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

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S36/37

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ RTECS ]:
YV8140000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2926909090

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

Inhalation toxicity of methylglutaronitrile in rats.

Drug Chem. Toxicol. 26(2) , 99-115, (2003)

Methylglutaronitrile (MGN) is a high-boiling (263 degrees C) solvent/intermediate used in the fiber industry. Twenty male rats per group were exposed nose-only to condensation aerosol/vapor concentrat...

Synthesis of picolines and other aza-aromatics from arylamines by isomerization-rearrangement and from dinitriles by hydrogenation-cyclization reactions. Prins R.

Catal. Today 37(2) , 103-120, (1997)

Synthesis of ß-picoline from 2-methylglutaronitrile over supported noble metal catalysts II. Influence of operation parameters. Lanini S and Prins R.

Appl. Catal. A Gen. 137(2) , 307-326, (1996)