Basic information
- Name:
Cholest-5-ene,3-chloro-,(3b)-
- Superlist Name:
- Cholesteryl chloride
- CAS No.:
910-31-6
- Molecular Structure:
- Formula:
- C27H45Cl
- Molecular Weight:
- 405.10
- Synonyms:
- Cholest-5-ene,3b-chloro-(6CI,7CI,8CI);3b-Cholesteryl chloride;(3β)-3-chlorocholest-5-ene;3β-Chlorocholest-5-ene;Cholest-5-ene,3β-chloro-;
- EINECS:
- 213-004-4
- Density:
- 0.99 g/cm3
- Melting Point:
- 94-96 °C(lit.)
- Boiling Point:
- 478.6 °C at 760 mmHg
- Flash Point:
- 249.6 °C
- Safety Description:
- 22-24/25 Details
- particular:
- particular
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Specification
The Cholesteryl chloride with CAS registry number of 910-31-6 is also called 3b-Chlorocholest-5-ene. The IUPAC name is (3β)-3-chlorocholest-5-ene. Its EINECS registry number is 213-004-4. In addition, the molecular formula is C27H45Cl and the molecular weight is 405.10. It is a kind of white to off-white crystalline powder and belongs to the classes of Steroids and Organics. What's more, it should be stored in a cool and dry place.
Physical properties about Cholesteryl chloride are: (1)ACD/LogP: 11.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.48; (4)ACD/LogD (pH 7.4): 11.48; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 0 Å2; (11)Index of Refraction: 1.52; (12)Molar Refractivity: 123.27 cm3; (13)Molar Volume: 405.4 cm3; (14)Polarizability: 48.86 ×10-24cm3; (15)Surface Tension: 36.2 dyne/cm; (16)Density: 0.99 g/cm3; (17)Flash Point: 249.6 °C; (18)Enthalpy of Vaporization: 71.44 kJ/mol; (19)Boiling Point: 478.6 °C at 760 mmHg; (20)Vapour Pressure: 7.34E-09 mmHg at 25°C.
Uses of Cholesteryl chloride: it can be used as a component of the liquid crystals. And it can be used with cholesteryl nonanoate, cholesteryl benzoate, and/or cholesteryl oleyl carbonate in some thermochromic liquid crystals. What's more, it can be used in some hair colors, make-ups, and some other cosmetic preparations.
When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes and should not breathe dust. Although it is slightly harmful to the water, but you can not let a large number of this products contact with the groundwater, the waterway or sewage system. If without government permission, you can not put this material into surroundings.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl[C@@H]4C/C3=C/C[C@@H]1[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@H](C)CCCC(C)C)C)[C@@]3(C)CC4
(2)InChI: InChI=1/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
(3)InChIKey: OTVRYZXVVMZHHW-DPAQBDIFBD