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

Click to get detail 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Articles

Rhodium-catalyzed regioselective arylation of phenylazoles and related compounds with arylboron reagents via C-H bond cleavage. Miyamura S, et al.

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...