4-Cyanocyclohexene

Modify Date: 2024-01-04 16:54:44

4-Cyanocyclohexene structure	Common Name	4-Cyanocyclohexene
	CAS Number	100-45-8	Molecular Weight	107.153
	Density	0.9±0.1 g/cm3	Boiling Point	200.9±29.0 °C at 760 mmHg
	Molecular Formula	C₇H₉N	Melting Point	N/A
	MSDS	N/A	Flash Point	65.8±17.1 °C

Name	4-Cyano-1-cyclohexene
Synonym	More Synonyms

Density	0.9±0.1 g/cm3
Boiling Point	200.9±29.0 °C at 760 mmHg
Molecular Formula	C₇H₉N
Molecular Weight	107.153
Flash Point	65.8±17.1 °C
Exact Mass	107.073502
PSA	23.79000
LogP	1.30
Vapour Pressure	0.3±0.4 mmHg at 25°C
Index of Refraction	1.481

4-Cyanocyclohexene MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GW2625000

CHEMICAL NAME :: 3-Cyclohexene-1-carbonitrile

CAS REGISTRY NUMBER :: 100-45-8

BEILSTEIN REFERENCE NO. :: 0636074

LAST UPDATED :: 199806

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C7-H9-N

MOLECULAR WEIGHT :: 107.17

WISWESSER LINE NOTATION :: L6UTJ DCN

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 :: 460 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 124 ppm/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 9460 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954

Hazard Codes	Xi
Risk Phrases	20/21/22-36/37/38
Safety Phrases	S26-S36/37/39
RIDADR	3276
RTECS	GW2625000
HS Code	2926909090

3-Cyclohexene-1...

CAS#:100-50-5

~96%

4-Cyanocyclohexene

CAS#:100-45-8

Literature: Sridhar, Madabhushi; Reddy, Mallu Kishore Kumar; Sairam, Vangipuram Venkata; Raveendra, Jillella; Godala, Kondal Reddy; Narsaiah, Chinthala; Ramanaiah, Beeram China; Reddy, Cirandur Suresh Tetrahedron Letters, 2012 , vol. 53, # 27 p. 3421 - 3424

3-Cyclohexene-1...

CAS#:57606-87-8

~98%

4-Cyanocyclohexene

CAS#:100-45-8

butadiene

CAS#:106-99-0

Acrylonitrile

CAS#:107-13-1

~87%

4-Cyanocyclohexene

CAS#:100-45-8

Literature: Korzenski, Michael B.; Kolis, Joseph W. Tetrahedron Letters, 1997 , vol. 38, # 32 p. 5611 - 5614

butadiene

CAS#:106-99-0

Acrylonitrile

CAS#:107-13-1

2-Vinylpyridine

CAS#:100-69-6

4-Cyanocyclohexene

CAS#:100-45-8

Detail

Literature: Journal of the American Chemical Society, , vol. 75, p. 5389,5390

Precursor 4
CAS#:100-50-5 3-Cyclohexene-1... CAS#:57606-87-8 3-Cyclohexene-1... CAS#:106-99-0 butadiene CAS#:107-13-1 Acrylonitrile
DownStream 9
CAS#:4771-80-6 3-Cyclohexeneca... CAS#:34916-10-4 4-Oxo-cyclohexa... CAS#:17983-30-1 3-Oxocyclohexan... CAS#:141-40-2 7-Oxabicyclo[4....
CAS#:923-42-2 1,2,4-Butanetri... CAS#:32366-41-9 β-Cyanoadipinsaeure CAS#:111-16-0 Pimelic acid CAS#:18240-10-3 2-cyclohex-3-en...
CAS#:7353-76-6 4-Acetylcyclohexene

HS Code	2926909090
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%