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Cas Database

Name	2-Bromo-5-fluorobenzoyl chloride	EINECS	N/A
CAS No.	111771-13-2	Density	1.742g/cm³
PSA	17.07000	LogP	2.96720
Solubility	N/A	Melting Point	20-22 °C
Formula	C₇H₃BrClFO	Boiling Point	243.7 °C at 760 mmHg
Molecular Weight	237.456	Flash Point	101.2 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	Xi:Irritant;
Molecular Structure		Hazard Symbols
Synonyms	2-Bromo-5-fluorobenzoylchloride;	Article Data	17

2-Bromo-5-fluorobenzoyl chloride Specification

The 2-Bromo-5-fluorobenzoyl chloride with its cas register number is 111771-13-2. It also can be called as Benzoyl chloride,2-bromo-5-fluoro- and the Systematic name about this chemical is 2-bromo-5-fluorobenzoyl chloride.

Physical properties about 2-Bromo-5-fluorobenzoyl chloride are: (1)ACD/LogP: 2.75; (2)ACD/LogD (pH 5.5): 2.75; (3)ACD/LogD (pH 7.4): 2.75; (4)ACD/BCF (pH 5.5): 72; (5)ACD/BCF (pH 7.4): 72; (6)ACD/KOC (pH 5.5): 743.2; (7)ACD/KOC (pH 7.4): 743.2; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07Å²; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 44.18 cm³; (13)Molar Volume: 136.2 cm³; (14)Polarizability: 17.51x10^-24cm³; (15)Surface Tension: 42.9 dyne/cm; (16)Enthalpy of Vaporization: 48.07 kJ/mol; (17)Vapour Pressure: 0.0316 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)c1cc(F)ccc1Br
(2)InChI: InChI=1/C7H3BrClFO/c8-6-2-1-4(10)3-5(6)7(9)11/h1-3H
(3)InChIKey: QIFDGTIOMAVGAQ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H3BrClFO/c8-6-2-1-4(10)3-5(6)7(9)11/h1-3H
(5)Std. InChIKey: QIFDGTIOMAVGAQ-UHFFFAOYSA-N

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