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Isoxazole, 3-(2,4-dichlorophenyl)-

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Name

Isoxazole, 3-(2,4-dichlorophenyl)-

EINECS
CAS No. 260973-78-2 Density 1.384 g/cm3
Solubility Melting Point 112-115 °C
Formula C9H5Cl2NO Boiling Point 319.7 °C at 760 mmHg
Molecular Weight 214.05 Flash Point 147.2 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 260973-78-2 (Isoxazole,3-(2,4-dichlorophenyl)-) Hazard Symbols IrritantXi
Synonyms

3-(2,4-DICHLOROPHENYL)ISOXAZOLE

 

Isoxazole, 3-(2,4-dichlorophenyl)- Specification

This chemical is called Isoxazole, 3-(2,4-dichlorophenyl)-, and its systematic name is 3-(2,4-dichlorophenyl)isoxazole. With the molecular formula of C9H5Cl2NO, its molecular weight is 214.05. The CAS registry number of this chemical is 260973-78-2. Additionally, its product categories are Oxazole & Isoxazole.

Other characteristics of the Isoxazole, 3-(2,4-dichlorophenyl)- can be summarised as followings: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 71.54; (6)ACD/BCF (pH 7.4): 71.54; (7)ACD/KOC (pH 5.5): 739.81; (8)ACD/KOC (pH 7.4): 739.81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.03 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 51.02 cm3; (15)Molar Volume: 154.6 cm3; (16)Polarizability: 20.22×10-24cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.384 g/cm3; (19)Flash Point: 147.2 °C; (20)Enthalpy of Vaporization: 53.9 kJ/mol; (21)Boiling Point: 319.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000623 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2cc(Cl)c(c1nocc1)cc2
2.InChI: InChI=1/C9H5Cl2NO/c10-6-1-2-7(8(11)5-6)9-3-4-13-12-9/h1-5H
3.InChIKey: SPVRCFRPTDHTOO-UHFFFAOYAZ

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