3-Cyclohexene-1-carbonylchloride supplier

Name
3-CYCLOHEXENECARBONYL CHLORIDE
EINECS
CAS No. 932-67-2
Article Data13
CAS DataBase
Density 1.148 g/cm³
Solubility Soluble in water.
Melting Point
Formula C₇H₉ClO
Boiling Point 178.9 °C at 760 mmHg
Molecular Weight 144.601
Flash Point 80.4 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 34
Molecular Structure
Hazard Symbols
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;
PSA 17.07000
LogP 2.10810

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

Product Name

3-CYCLOHEXENECARBONYL CHLORIDE

3-Cyclohexene-1-carbonylchloride Specification

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