Cyclohexanecarbonitrile
Names
[ CAS No. ]:
766-05-2
[ Name ]:
Cyclohexanecarbonitrile
[Synonym ]:
tetrahydrobenzonitrile
Hexahydrobenzonitril [German]
cyclohexylcarbonitrile
Cyclohexanecarboxylic acid nitrile
EINECS 212-157-4
hexahydrobenzonitrile
Cyclohexanecarbonitrile
cyclohexane carbonitrile
Cyclohexyl cyanide
Cyclohexanecarboxylic acid nitrite
Cyanocyclohexane
MFCD00040444
Chemical & Physical Properties
[ Density]:
0.9±0.1 g/cm3
[ Boiling Point ]:
199.8±9.0 °C at 760 mmHg
[ Melting Point ]:
11 °C(lit.)
[ Molecular Formula ]:
C7H11N
[ Molecular Weight ]:
109.169
[ Flash Point ]:
68.8±6.5 °C
[ Exact Mass ]:
109.089149
[ PSA ]:
23.79000
[ LogP ]:
1.61
[ Vapour Pressure ]:
0.3±0.4 mmHg at 25°C
[ Index of Refraction ]:
1.452
[ Storage condition ]:
2-8°C
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GU7280000
- CHEMICAL NAME :
- Cyclohexanecarbonitrile
- CAS REGISTRY NUMBER :
- 766-05-2
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C7-H11-N
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 :
- 80 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969
Safety Information
[ Symbol ]:
GHS06
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H301 + H311
[ Precautionary Statements ]:
P280-P301 + P310-P312
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
T:Toxic;
[ Risk Phrases ]:
R23/24/25;R36/37/38
[ Safety Phrases ]:
S36/37-S45-S36/37/39-S26-S23
[ RIDADR ]:
UN 3276 6.1/PG 3
[ WGK Germany ]:
3
[ RTECS ]:
GU7280000
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Articles
J. Organomet. Chem. 693(14) , 2438-42, (2008)
C-metalated nitriles: electrophile-dependent alkylations and acylations.
J. Org. Chem. 71(4) , 1430-5, (2006)
Sequential carbonyl addition-conjugate addition of Grignard reagents to 3-oxocyclohex-1-ene-1-carbonitrile generates C-magnesiated nitriles whose alkylation stereoselectivities intimately depend on th...