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
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
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)