CAS 931-97-5|1-Hydroxycyclohexanecarbonitrile

Introduction：Basic information about CAS 931-97-5|1-Hydroxycyclohexanecarbonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Articles1
6. Synonyms

Common Name	1-Hydroxycyclohexanecarbonitrile
CAS Number	931-97-5	Molecular Weight	125.168
Density	1.1±0.1 g/cm3	Boiling Point	232.1±0.0 °C at 760 mmHg
Molecular Formula	C₇H₁₁NO	Melting Point	32-35 °C(lit.)
MSDS	ChineseUSA	Flash Point	112.1±22.6 °C
Symbol	GHS06	Signal Word	Danger

Names

Name	Cyclohexanone cyanohydrin
Synonym	More Synonyms

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
InChIKey	ZDBRPNZOTCHLSP-UHFFFAOYSA-N
SMILES	N#CC1(O)CCCCC1
Storage condition	2-8°C

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

Articles1

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

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

Synonyms

1-hydroxycyclohexane-1-carbonitrile

MFCD00003818

1-Hydroxycyclohexanecarbonitrile

EINECS 213-246-0

1-Hydroxy-cyclohexanecarbonitrile

Cyclohexanecarbonitrile, 1-hydroxy-

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