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5-Chloro-2-fluorobenzoyl chloride

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Name

5-Chloro-2-fluorobenzoyl chloride

EINECS -0
CAS No. 394-29-6 Density 1.462 g/cm3
PSA 17.07000 LogP 2.85810
Solubility N/A Melting Point N/A
Formula C7H3Cl2FO Boiling Point 213 °C at 760 mmHg
Molecular Weight 193.005 Flash Point 82.6 °C
Transport Information UN 3265 8/PG 3 Appearance COLORLESS LIQUID
Safety 26-27-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 394-29-6 (5-CHLORO-2-FLUOROBENZOYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

3-Chloro-6-fluorobenzoylchloride;5-Chloro-2-fluorobenzoyl chloride;Benzoyl chloride, 5-chloro-2-fluoro-;GVR CG FF;2-Bromo-5-fluorobenzoic acid;2-fluoro-5-chlorobenzoyl chloride;

Article Data 9

5-Chloro-2-fluorobenzoyl chloride Specification

The Benzoyl chloride,5-chloro-2-fluoro-, with the CAS registry number 394-29-6, has the systematic name of 5-chloro-2-fluorobenzoyl chloride. It belongs to the following product categories: Aromatic Halides (substituted); Acid Halides; Carbonyl Compounds; Organic Building Blocks. And the molecular formula of the chemical is C7H3Cl2FO.

The characteristics of Benzoyl chloride,5-chloro-2-fluoro- are as followings: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 54.3; (6)ACD/BCF (pH 7.4): 54.3; (7)ACD/KOC (pH 5.5): 607.27; (8)ACD/KOC (pH 7.4): 607.27; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 41.38 cm3; (15)Molar Volume: 132 cm3; (16)Polarizability: 16.4×10-24cm3; (17)Surface Tension: 41 dyne/cm; (18)Density: 1.462 g/cm3; (19)Flash Point: 82.6 °C; (20)Enthalpy of Vaporization: 44.94 kJ/mol; (21)Boiling Point: 213 °C at 760 mmHg; (22)Vapour Pressure: 0.168 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; Take off immediately all contaminated clothing; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(C(Cl)=O)cc(Cl)cc1
(2)InChI: InChI=1/C7H3Cl2FO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H
(3)InChIKey: VWGAATKTEAKOCO-UHFFFAOYAG

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