1-Hydroxycyclohexanecarbonitrile

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Names

[ CAS No. ]:
931-97-5

[ Name ]:
1-Hydroxycyclohexanecarbonitrile

[Synonym ]:
1-hydroxycyclohexane-1-carbonitrile
MFCD00003818
1-Hydroxycyclohexanecarbonitrile
EINECS 213-246-0
1-Hydroxy-cyclohexanecarbonitrile
Cyclohexanecarbonitrile, 1-hydroxy-

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
232.1±0.0 °C at 760 mmHg

[ Melting Point ]:
32-35 °C(lit.)

[ Molecular Formula ]:
C7H11NO

[ Molecular Weight ]:
125.168

[ Flash Point ]:
112.1±22.6 °C

[ Exact Mass ]:
125.084061

[ PSA ]:
44.02000

[ LogP ]:
0.29

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.489

[ Storage condition ]:
2-8°C

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU7710000
CHEMICAL NAME :
Cyclohexanecarbonitrile, 1-hydroxy-
CAS REGISTRY NUMBER :
931-97-5
BEILSTEIN REFERENCE NO. :
1634973
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H11-N-O
MOLECULAR WEIGHT :
125.19
WISWESSER LINE NOTATION :
L6TJ AQ ACN

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 :
10 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570906
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04232

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H300

[ Precautionary Statements ]:
P264-P301 + P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
T+: Very toxic;

[ Risk Phrases ]:
R29

[ Safety Phrases ]:
S45

[ RIDADR ]:
UN 2811 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
GU7710000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

Synthetic Route

Precursor & DownStream

Precursor

  • HYDROGEN CYANIDE
  • Cyclohexanone
  • POTASSIUM CYANIDE
  • Acetone cyanohydrin
  • Sodium cyanide
  • Trimethylsilyl cyanide
  • sodium cyanide
  • 1-Hydroxycyclohexanecarboxylic acid
  • Ethanol
  • 1,4-Dioxane

DownStream

  • N-(cyclohex-1-en-1-yl)formamide
  • 2,4-dimethoxy-6-methylbenzonitrile
  • 2-benzoylbenzonitrile
  • 2,4-Dimethoxybenzonitrile
  • 1,3-Dimethoxybenzene
  • HYDROGEN CYANIDE
  • Cyclohexanone
  • 1-Cyanocyclohexaneacetonitrile
  • a-Hydroxycyclohexylphenylketone
  • Cyclohexanecarboxylic acid

Articles

The Reduction of Cyclohexanone Cyanohydrin by Lithium Aluminum Hydride. Nace HR and Smith BB.

J. Am. Chem. Soc. 74(7) , 1861-62, (1952)


More Articles


Related Compounds

  • 4-methyl-1-hydroxycyclohexanecarbonitrile
  • 4,4-difluoro-1-hydroxycyclohexanecarbonitrile
  • 1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine
  • 1-(3-Chlorophenyl)-4-propylpiperazine
  • [1-[4-(4-aminophenyl)sulfanylphenyl]ethylideneamino]urea
  • 1,4,7,13-tetramethyl-1,4,7,10,13,16-hexazacyclooctadecane