Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 3-Cyclohexene-1-carbonitrile
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

100-45-8

100-45-8 structure

Name: 4-Cyanocyclohexene
Chemical Name: 4-Cyano-1-cyclohexene
CAS Number: 100-45-8
Molecular Formula: C₇H₉N
Molecular Weight: 107.153
Create Date: 2018-06-18 21:56:23
Modify Date: 2025-08-25 15:36:33

Name	4-Cyano-1-cyclohexene
Synonyms	4-CYANO-1-CYCLOHEXENE 1,2,3,6-Tetrahydrobenzonitrile 4-Cyanocyclohexene Cyclohex-3-ene-1-carbonitrile MFCD00013778 3-Cyclohexene-1-carbonitrile 3-Cyclohexenecarbonitrile

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

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

100-50-5

~96%

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

57606-87-8

~98%

100-45-8

106-99-0

107-13-1

~87%

100-45-8

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

106-99-0

107-13-1

100-69-6

100-45-8

Detail

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

Precursor 4
100-50-5 57606-87-8 106-99-0 107-13-1
DownStream 9
4771-80-6 34916-10-4 17983-30-1 141-40-2
923-42-2 32366-41-9 111-16-0 18240-10-3
7353-76-6

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%

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