| Specification: |
This chemical is called 4-Chloro-2,5-difluorobenzoyl chloride, and it can also be named as Benzoyl chloride, 4-chloro-2,5-difluoro-. With the molecular formula of C7H2Cl2F2O, its molecular weight is 210.99. The CAS registry number of this chemical is 132794-08-2, and its product category is Acidhalide.
Other characteristics of the 4-Chloro-2,5-difluorobenzoyl chloride can be summarised 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): 54.92; (6)ACD/BCF (pH 7.4): 54.92; (7)ACD/KOC (pH 5.5): 612.25; (8)ACD/KOC (pH 7.4): 612.25; (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: 1.519; (14)Molar Refractivity: 41.37 cm3; (15)Molar Volume: 136.2 cm3; (16)Polarizability: 16.4×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.548 g/cm3; (19)Flash Point: 81.1 °C; (20)Enthalpy of Vaporization: 44.67 kJ/mol; (21)Boiling Point: 210.5 °C at 760 mmHg; (22)Vapour Pressure: 0.192 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritant and corrosive to skin and eyes, and it's easily to cause burns. You should wear suitable protective clothing when you use it. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C(Cl)=O)c(F)cc1Cl
(2)InChI: InChI=1/C7H2Cl2F2O/c8-4-2-5(10)3(7(9)12)1-6(4)11/h1-2H
(3)InChIKey: DFLRZGOHFNFBQS-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H2Cl2F2O/c8-4-2-5(10)3(7(9)12)1-6(4)11/h1-2H
(5)Std. InChIKey: DFLRZGOHFNFBQS-UHFFFAOYSA-N
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