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121872-95-5

Basic Information
CAS No.: 121872-95-5
Name: 2-CHLORO-4,5-DIFLUOROBENZOYL CHLORIDE
Article Data: 13
Molecular Structure:
Molecular Structure of 121872-95-5 (2-CHLORO-4,5-DIFLUOROBENZOYL CHLORIDE)
Formula: C7H2Cl2F2O
Molecular Weight: 210.995
Synonyms: 2-Chloro-4,5-difluorobenzoicacid chloride;2-Chloro-4,5-difluorobenzoyl chloride;
Density: 1.548 g/cm3
Boiling Point: 217.8 °C at 760 mmHg
Flash Point: 85.5 °C
Hazard Symbols: CorrosiveC
Risk Codes: 34-36/37/38
Safety: 26-36/37/39-45
PSA: 17.07000
LogP: 2.99720
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Specification

The Benzoyl chloride,2-chloro-4,5-difluoro-, with the CAS registry number 121872-95-5, is also known as 2-Chloro-4,5-difluorobenzoicacid chloride. It belongs to the product category of Acidhalide. This chemical's molecular formula is C7H2Cl2F2O and molecular weight is 210.99. What's more, both its IUPAC name and systematic name are the same which is called 2-Chloro-4,5-difluorobenzoyl chloride.

Physical properties about Benzoyl chloride,2-chloro-4,5-difluoro- are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.52; (8)Molar Refractivity: 41.38 cm3; (9)Molar Volume: 136.212 cm3; (10)Surface Tension: 39.385 dyne/cm; (11)Density: 1.549 g/cm3; (12)Flash Point: 85.523 °C; (13)Enthalpy of Vaporization: 45.418 kJ/mol; (14)Boiling Point: 217.8 °C at 760 mmHg; (15)Vapour Pressure: 0.13 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Cl)c1cc(F)c(F)cc1Cl
(2) InChI: InChI=1/C7H2Cl2F2O/c8-4-2-6(11)5(10)1-3(4)7(9)12/h1-2H
(3) InChIKey: WVGSPMZLNNRZRH-UHFFFAOYAH