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26454-53-5

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Basic Information
CAS No.: 26454-53-5
Name: 9H-XANTHENE-9-CARBONYL CHLORIDE
Article Data: 7
Molecular Structure:
Molecular Structure of 26454-53-5 (9H-XANTHENE-9-CARBONYL CHLORIDE)
Formula: C14H9ClO2
Molecular Weight: 244.677
Synonyms: Xanthene-9-carbonylchloride (8CI);
Density: 1.335 g/cm3
Boiling Point: 338.1 °C at 760 mmHg
Flash Point: 125.3 °C
Hazard Symbols: IrritantXi
Risk Codes: 36
Safety: 26
PSA: 26.30000
LogP: 3.68960
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    9H-Xanthene-9-carbonyl chloride

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Specification

This chemical is called 9H-Xanthene-9-carbonyl chloride, and its CAS registry number is 26454-53-5. With the molecular formula of C14H9ClO2, its molecular weight is 244.67.

Other characteristics of the 9H-Xanthene-9-carbonyl chloride can be summarised as followings: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 263.92; (6)ACD/BCF (pH 7.4): 263.92; (7)ACD/KOC (pH 5.5): 1883.22; (8)ACD/KOC (pH 7.4): 1883.22; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 64.82 cm3; (15)Molar Volume: 183.2 cm3; (16)Polarizability: 25.69×10-24cm3; (17)Surface Tension: 49.8 dyne/cm; (18)Density: 1.335 g/cm3; (19)Flash Point: 125.3 °C; (20)Enthalpy of Vaporization: 58.15 kJ/mol; (21)Boiling Point: 338.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: ClC(=O)C2c3c(Oc1c2cccc1)cccc3
2.InChI: InChI=1/C14H9ClO2/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H
3.InChIKey: JYRSCMLJPXJTLI-UHFFFAOYAY