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CAS No.: | 2441-97-6 |
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Name: | 3-CHLOROCYCLOHEXENE |
Article Data: | 74 |
Molecular Structure: | |
Formula: | C6H9 Cl |
Molecular Weight: | 116.59 |
Synonyms: | 2-Cyclohexenylchloride; 3-Chloro-1-cyclohexene; 3-Chlorocyclohexene; 3-Cyclohexenyl chloride |
Density: | 1.02g/cm3 |
Boiling Point: | 147.5°Cat760mmHg |
Flash Point: | 27.4°C |
Risk Codes: | 10-36/37/38 |
Safety: | Mutation data reported. When heated to decomposition it emits toxic vapors of Cl−. |
PSA: | 0.00000 |
LogP: | 2.33390 |
Molecule structure of 3-Chloro-1-cyclohexene (CAS NO.2441-97-6) :
IUPAC Name: 3-chlorocyclohexene
Molecular Weight: 116.5887 g/mol
Molecular Formula: C6H9Cl
Density: 1.02 g/cm3
Boiling Point: 147.5 °C at 760 mmHg
Flash Point: 27.4 °C
Index of Refraction: 1.48
Molar Refractivity: 32.49 cm3
Molar Volume: 114.2 cm3
Polarizability: 12.88*10-24 cm3
Surface Tension: 28.9 dyne/cm
Enthalpy of Vaporization: 36.86 kJ/mol
Vapour Pressure: 5.59 mmHg at 25 °C
XLogP3-AA: 2.3
Exact Mass: 116.039278
MonoIsotopic Mass: 116.039278
Heavy Atom Count: 7
Complexity: 76.2
Canonical SMILES: C1CC=CC(C1)Cl
InChI: InChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2
InChIKey: LNGQLHZIYFQUIR-UHFFFAOYSA-N
1. | mmo-sat 40 µmol/plate | BCPCA6 Biochemical Pharmacology. 29 (1980),2611. | ||
2. | mmo-sat 100 µmol/plate | CBINA8 Chemico-Biological Interactions. 38 (1982),303. |
Mutation data reported. When heated to decomposition it emits toxic vapors of Cl−.
Risk Statements: 10-36/37/38
R10: Flammable
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: 1993
RTECS: GW4605000
3-Chloro-1-cyclohexene (CAS NO.2441-97-6) is also called 3-Cyclohexenyl chloride ; 4-05-00-00230 (Beilstein Handbook Reference) ; BRN 1852114 ; Cyclohexene, 3-chloro- . 3-Chloro-1-cyclohexene (CAS NO.2441-97-6) is toxic. It will produce toxic chloride smoke by heat. So the storage environment should be ventilate, low-temperature and dry.