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2-Chloro-4-fluorobenzotrifluoride

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Name

2-Chloro-4-fluorobenzotrifluoride

EINECS N/A
CAS No. 94444-58-3 Density 1.427 g/cm3
PSA 0.00000 LogP 3.49790
Solubility N/A Melting Point -42 °C
Formula C7H3ClF4 Boiling Point 148.9 °C at 760 mmHg
Molecular Weight 198.547 Flash Point 48.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 94444-58-3 (2-CHLORO-4-FLUOROBENZOTRIFLUORIDE) Hazard Symbols IrritantXi
Synonyms

2-Chloro-4-fluoro-1-(trifluoromethyl)benzene;

Article Data 1

2-Chloro-4-fluorobenzotrifluoride Specification

The Benzene,2-chloro-4-fluoro-1-(trifluoromethyl)-, with the CAS registry number 94444-58-3, has the systematic name of 2-chloro-4-fluoro-1-(trifluoromethyl)benzene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H3ClF4.

The characteristics of Benzene,2-chloro-4-fluoro-1-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 173.45; (6)ACD/BCF (pH 7.4): 173.45; (7)ACD/KOC (pH 5.5): 1394.5; (8)ACD/KOC (pH 7.4): 1394.5; (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: 48.9 °C; (20)Enthalpy of Vaporization: 36.99 kJ/mol; (21)Boiling Point: 148.9 °C at 760 mmHg; (22)Vapour Pressure: 5.25 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1ccc(F)cc1Cl
(2)InChI: InChI=1/C7H3ClF4/c8-6-3-4(9)1-2-5(6)7(10,11)12/h1-3H
(3)InChIKey: UHHZGIHGBLCIJM-UHFFFAOYAM

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