Benzene,1-chloro-3-fluoro-5-(trifluoromethyl)- supplier

Name
1-Chloro-3-fluoro-5-(trifluoromethyl)benzene
EINECS
CAS No. 1005764-23-7
Density 1.427 g/cm³
Solubility
Melting Point
Formula C₇H₃ClF₄
Boiling Point 128.8 °C at 760 mmHg
Molecular Weight 198.55
Flash Point 37.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Chloro-3-fluoro-5-(trifluoromethyl)benzene;
PSA 0.00000
LogP 3.49790

Benzene,1-chloro-3-fluoro-5-(trifluoromethyl)- Specification

The Benzene,1-chloro-3-fluoro-5-(trifluoromethyl)-, with its CAS registry number 1005764-23-7, has the systematic name of 1-chloro-3-fluoro-5-(trifluoromethyl)benzene. And it has the molecular formula of C₇H₃ClF₄.

The characteristics of Benzene,1-chloro-3-fluoro-5-(trifluoromethyl)- are as follows: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 118.41; (6)ACD/BCF (pH 7.4): 118.41; (7)ACD/KOC (pH 5.5): 1061.07; (8)ACD/KOC (pH 7.4): 1061.07; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 36.12 cm³; (15)Molar Volume: 139.1 cm³; (16)Polarizability: 14.31×10^-24cm³; (17)Surface Tension: 23.8 dyne/cm; (18)Density: 1.427 g/cm³; (19)Flash Point: 37.6 °C; (20)Enthalpy of Vaporization: 35.13 kJ/mol; (21)Boiling Point: 128.8 °C at 760 mmHg; (22)Vapour Pressure: 12.8 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Fc1cc(cc(Cl)c1)C(F)(F)F
(2)InChI:InChI=1/C7H3ClF4/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
(3)InChIKey:KLZMNQRDDPSCLS-UHFFFAOYAZ

Product Name

1-Chloro-3-fluoro-5-(trifluoromethyl)benzene

Benzene,1-chloro-3-fluoro-5-(trifluoromethyl)- Specification

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