4-Cyanocyclohexene
Names
[ CAS No. ]:
100-45-8
[ Name ]:
4-Cyanocyclohexene
[Synonym ]:
4-CYANO-1-CYCLOHEXENE
1,2,3,6-Tetrahydrobenzonitrile
4-Cyanocyclohexene
Cyclohex-3-ene-1-carbonitrile
MFCD00013778
3-Cyclohexene-1-carbonitrile
3-Cyclohexenecarbonitrile
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
MSDS
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
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%