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88578-92-1

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Basic Information
CAS No.: 88578-92-1
Name: 2-CHLORO-4-FLUOROBENZOTRICHLORIDE
Molecular Structure:
Molecular Structure of 88578-92-1 (2-CHLORO-4-FLUOROBENZOTRICHLORIDE)
Formula: C7H3Cl4F
Molecular Weight: 247.91
Synonyms: 2-Chloro-4-fluorobenzotrichloride;
Density: 1.579 g/cm3
Boiling Point: 256.9 °C at 760 mmHg
Flash Point: 121.9 °C
PSA: 0.00000
LogP: 4.30580
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Specification

This chemical is called Benzene, 2-chloro-4-fluoro-1-(trichloromethyl)-, and its systematic name is 2-Chloro-4-fluoro-1-(trichloromethyl)benzene. With the molecular formula of C7H3Cl4F, its molecular weight is 247.91. The CAS registry number of this chemical is 88578-92-1.

Other characteristics of the Benzene, 2-chloro-4-fluoro-1-(trichloromethyl)- can be summarised as followings: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 293.19; (6)ACD/BCF (pH 7.4): 293.19; (7)ACD/KOC (pH 5.5): 2030.43; (8)ACD/KOC (pH 7.4): 2030.43; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.552; (13)Molar Refractivity: 50.17 cm3; (14)Molar Volume: 156.9 cm3; (15)Polarizability: 19.89×10-24cm3; (16)Surface Tension: 39.8 dyne/cm; (17)Density: 1.579 g/cm3; (18)Flash Point: 121.9 °C; (19)Enthalpy of Vaporization: 47.44 kJ/mol; (20)Boiling Point: 256.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0241 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: ClC(Cl)(Cl)c1ccc(F)cc1Cl
2.InChI: InChI=1/C7H3Cl4F/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H
3.InChIKey: VAHJAZWBSMAVQL-UHFFFAOYAA