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