Cyclohexanecarbonitrile

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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

  • cyclohexanecarboxaldehyde oxime
  • Cyclohexanecarboxaldehyde
  • Cyclohexanecarboxamide
  • Cyclohexanemethylamine
  • Sodium cyanide
  • Cyclohexanol
  • Cyclohexanecarboxaldehyde, oxime, (E)- (8CI, 9CI)
  • 1-(1-Cyanocyclohexyl)-2-carbomethoxyhydrazine
  • Cyclohexanecarboxylic acid

DownStream

  • METHYL 1-BROMOCYCLOHEXANECARBOXYLATE
  • Cyclohexanecarbonitrile,1-(4-methoxyphenyl)-
  • Benzoguanamine
  • 6-cyclohexyl-1,3,5-triazine-2,4-diamine
  • Methyl cyclohexanoate
  • 2-Cyclohexylethanol
  • 2-Cyclohexyl-2-propanamine
  • Benzoylcyclohexane
  • Cyclohexanecarboxaldehyde
  • Cyclohexanecarboxylic acid

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...


More Articles

Related Compounds

  • 2-oxocyclohexanecarbonitrile
  • 3-Oxocyclohexanecarbonitrile
  • 4-Oxocyclohexanecarbonitrile
  • Cyclohexanecarbonitrile,methyl
  • 1-bromocyclohexanecarbonitrile
  • 1-aminocyclohexanecarbonitrile
  • 7-Fluoro-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonyl chloride
  • 2-Chloro-N-(1-methylpropyl)-N-[2-(1-methylpropyl)phenyl]acetamide
  • 3-(1-Aminoethyl)-4,8-dichloro-2-phenylisoquinolin-1-one
  • Tert-butyl 4-[(6-oxopyrimidin-1-yl)methyl]benzoate
  • 4-Hydroxy-1,8-naphthyridine-3-carbonitrile
  • 2-Ethenyl-3-(methoxymethyl)furan
  • 2-(Hexan-2-yl)-2-hydroxybutanedioic acid
  • 6-((tert-Butyldimethylsilyl)oxy)-5-methoxy-1H-indole
  • (2S,3S)-2-Methyl-3-((methylsulfonyl)methyl)azetidine
  • 2-(4-Bromophenyl)-3-(4-(diphenylamino)phenyl)acrylonitrile
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