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