4-Acetyl-4-methylheptanedinitrile
Names
[ CAS No. ]:
1681-17-0
[ Name ]:
4-Acetyl-4-methylheptanedinitrile
[Synonym ]:
4-Acetyl-4-methylheptanedinitrile
4-Methyl-4-acetyl-pimelinsaeure-dinitril
Heptanedinitrile, 4-acetyl-4-methyl-
4-acetyl-4-methyl-heptanedinitrile
2,2-Bis(β-cyanoethyl)-3-butanone
γ-Acetyl-γ-methylpimelonitrile
2CN
HEPTANEDINITRILE,4-ACETYL-4-METHYL
MFCD00052863
3-Acetyl-3-methyl-pentan-1,5-dicarbonitril
4-Acetyl-4-methylpimelonitrile
4-Acetyl-4-methyl-heptandinitril
Chemical & Physical Properties
[ Density]:
1.0±0.1 g/cm3
[ Boiling Point ]:
381.3±37.0 °C at 760 mmHg
[ Melting Point ]:
66-67°C
[ Molecular Formula ]:
C10H14N2O
[ Molecular Weight ]:
178.231
[ Flash Point ]:
184.4±26.5 °C
[ Exact Mass ]:
178.110611
[ PSA ]:
64.65000
[ LogP ]:
-0.27
[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C
[ Index of Refraction ]:
1.455
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- MI9100000
- CHEMICAL NAME :
- Heptanedinitrile, 4-acetyl-4-methyl-
- CAS REGISTRY NUMBER :
- 1681-17-0
- BEILSTEIN REFERENCE NO. :
- 1769600
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H14-N2-O
- MOLECULAR WEIGHT :
- 178.26
- WISWESSER LINE NOTATION :
- NC2X1&V1&2CN
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 312 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 7,689,1955
Safety Information
[ Risk Phrases ]:
R20/21/22
[ Safety Phrases ]:
S22-S36/37
[ RIDADR ]:
3276
[ 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%