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87138-77-0

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Basic Information
CAS No.: 87138-77-0
Name: 3-chlorofluocinolone acetonide
Molecular Structure:
Molecular Structure of 87138-77-0 (3-chlorofluocinolone acetonide)
Formula: C24H29ClF2O5
Molecular Weight: 470.933866
Synonyms: 6bH-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxole,pregna-1,3,5-trien-20-one deriv.;
Density: 1.39 g/cm3
Boiling Point: 568.6 °C at 760 mmHg
Flash Point: 297.7 °C
PSA: 75.99000
LogP: 3.87950
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  • 3-CHLOROFLUOCINOLONE ACETONIDE

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    87138-77-0

    3-CHLOROFLUOCINOLONE ACETONIDE

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    3-CHLOROFLUOCINOLONE ACETONIDEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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    High Quality Best Price Storage:Store in dry, dark and ventilated place Application:Chemical Synthesis Intermediate

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Specification

The 3-Chlorofluocinolone acetonide, with the CAS registry number 87138-77-0, is also known as Pregna-1,3,5-trien-20-one, 3-chloro-6,9-difluoro-11,21-dihydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11beta,16alpha)-. This chemical's molecular formula is C24H29ClF2O5. Its IUPAC name is called 1-[(4aS,5S,6aS,6bS,9aS,10aS,10bS)-2-chloro-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-hydroxyethanone.

Physical properties of 3-Chlorofluocinolone acetonide: (1)ACD/LogP: 4.11; (2)ACD/LogD (pH 5.5): 4.11; (3)ACD/LogD (pH 7.4): 4.11; (4)ACD/BCF (pH 5.5): 784.4; (5)ACD/BCF (pH 7.4): 784.4; (6)ACD/KOC (pH 5.5): 4106.88; (7)ACD/KOC (pH 7.4): 4106.85; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 113.7 cm3; (13)Molar Volume: 337.1 cm3; (14)Surface Tension: 52.1 dyne/cm; (15)Density: 1.39 g/cm3; (16)Flash Point: 297.7 °C; (17)Enthalpy of Vaporization: 98.02 kJ/mol; (18)Boiling Point: 568.6 °C at 760 mmHg; (19)Vapour Pressure: 2.68E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(OC2CC3C4CC(=C5C=C(C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)Cl)F)C
(2)Isomeric SMILES: C[C@]12C[C@@H](C3([C@H]([C@@H]1C[C@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CC(=C5[C@@]3(C=CC(=C5)Cl)C)F)F)O
(3)InChI: InChI=1S/C24H29ClF2O5/c1-20(2)31-19-9-13-14-8-16(26)15-7-12(25)5-6-21(15,3)23(14,27)17(29)10-22(13,4)24(19,32-20)18(30)11-28/h5-7,13-14,17,19,28-29H,8-11H2,1-4H3/t13-,14-,17-,19-,21-,22-,23?,24+/m0/s1
(4)InChIKey: KSOFSIRPKGXAHL-CPXYBYFWSA-N