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3-Cyclohexene-1-carbonylchloride

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Name

3-Cyclohexene-1-carbonylchloride

EINECS N/A
CAS No. 932-67-2 Density 1.148 g/cm3
PSA 17.07000 LogP 2.10810
Solubility Soluble in water. Melting Point N/A
Formula C7H9ClO Boiling Point 178.9 °C at 760 mmHg
Molecular Weight 144.601 Flash Point 80.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 932-67-2 (3-CYCLOHEXENECARBONYL CHLORIDE) Hazard Symbols N/A
Synonyms

1-Cyclohex-3-enecarbonylchloride;3-Cyclohexene-1-carboxylic acid chloride;3-Cyclohexenecarbonylchloride;4-Chlorocarbonyl-1-cyclohexene;D3-Cyclohexenecarboxylic acid chloride;Cyclohex-3-ene-1-carbonyl chloride;3-cyclohexene-1-carbonyl chloride;

Article Data 13

3-Cyclohexene-1-carbonylchloride Specification

The 3-Cyclohexene-1-carbonylchloride, with the CAS registry number 932-67-2, has the systematic name and IUPAC name of cyclohex-3-ene-1-carbonyl chloride. It belongs to the following product categories: Carbonyl Chlorides; API intermediates; Carbonyl Chlorides; Ring Systems. And the molecular formula of the chemical is C7H9ClO.

The characteristics of 3-Cyclohexene-1-carbonylchloride are as followings: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.74; (6)ACD/BCF (pH 7.4): 27.74; (7)ACD/KOC (pH 5.5): 375.53; (8)ACD/KOC (pH 7.4): 375.53; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 36.69 cm3; (15)Molar Volume: 125.8 cm3; (16)Polarizability: 14.54×10-24cm3; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 1.148 g/cm3; (19)Flash Point: 80.4 °C; (20)Enthalpy of Vaporization: 41.52 kJ/mol; (21)Boiling Point: 178.9 °C at 760 mmHg; (22)Vapour Pressure: 0.969 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(=O)C1C\C=C/CC1
(2)InChI: InChI=1/C7H9ClO/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2
(3)InChIKey: CXWMHIRIXVNVQN-UHFFFAOYAF

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