4-Cyanocyclohexene

Modify Date: 2025-08-25 15:36:33

4-Cyanocyclohexene Structure
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

 Names

Name 4-Cyano-1-cyclohexene
Synonym More Synonyms

 Chemical & Physical Properties

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

 Toxicological Information

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

 Safety Information

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

 Customs

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%

 Synonyms

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