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2,3-Dichlorobenzotrifluoride

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Name

2,3-Dichlorobenzotrifluoride

EINECS 259-336-3
CAS No. 54773-19-2 Density 1.464 g/cm3
PSA 0.00000 LogP 4.01220
Solubility N/A Melting Point -26 C
Formula C7H3Cl2F3 Boiling Point 184.4 °C at 760 mmHg
Molecular Weight 215.002 Flash Point 73.2 °C
Transport Information N/A Appearance N/A
Safety 24/25-36-26 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 54773-19-2 (2,3-Dichlorobenzotrifluoride) Hazard Symbols IrritantXi
Synonyms

2,3-Dichloro-a,a,a-trifluorotoluene;2,3-Dichlorobenzotrifluoride;1,2-dichloro-3-(trifluoromethyl)benzene;

Article Data 6

2,3-Dichlorobenzotrifluoride Specification

The 2,3-Dichlorobenzotrifluoride, with the CAS registry number 54773-19-2 and EINECS registry number 259-336-3, has the systematic name of 1,2-dichloro-3-(trifluoromethyl)benzene. And the molecular formula of this chemical is C7H3Cl2F3.

The physical properties of 2,3-Dichlorobenzotrifluoride are as following: (1)ACD/LogP: 4.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.19; (4)ACD/LogD (pH 7.4): 4.19; (5)ACD/BCF (pH 5.5): 899.4; (6)ACD/BCF (pH 7.4): 899.4; (7)ACD/KOC (pH 5.5): 4529.4; (8)ACD/KOC (pH 7.4): 4529.4; (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: 1.47; (14)Molar Refractivity: 41.02 cm3; (15)Molar Volume: 146.8 cm3; (16)Polarizability: 16.26×10-24cm3; (17)Surface Tension: 27.4 dyne/cm; (18)Density: 1.464 g/cm3; (19)Flash Point: 73.2 °C; (20)Enthalpy of Vaporization: 40.34 kJ/mol; (21)Boiling Point: 184.4 °C at 760 mmHg; (22)Vapour Pressure: 1 mmHg at 25°C.

Preparation of 2,3-Dichlorobenzotrifluoride: This chemical can be prepared by trifluoromethyl-benzene, and other products are 1,2-dichloro-4-trifluoromethyl-benzene, 2,5-dichlorobenzotrifluoride, 1,3-dichloro-5-(trifluoromethyl)benzene and 1-chloro-3-trifluoromethyl-benzene. The reaction will need Cl2, and the catalyst FeCl3. The reaction temperature is 80°C, and the yield is about 37.1%.

2,3-Dichlorobenzotrifluoride can be prepared by trifluoromethyl-benzene, and other products are 1,2-dichloro-4-trifluoromethyl-benzene, 2,5-dichlorobenzotrifluoride, 1,3-dichloro-5-(trifluoromethyl)benzene and 1-chloro-3-trifluoromethyl-benzene

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. It is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(cccc1Cl)C(F)(F)F
(2)InChI: InChI=1/C7H3Cl2F3/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H
(3)InChIKey: BJYHBJUWZMHGGQ-UHFFFAOYAG

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