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2,5-Difluoro-4-Methylbenzoyl chloride

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Name

2,5-Difluoro-4-Methylbenzoyl chloride

EINECS N/A
CAS No. 103877-56-1 Density 1.356 g/cm3
PSA 17.07000 LogP 2.65220
Solubility N/A Melting Point N/A
Formula C8H5ClF2O Boiling Point 218.7 °C at 760 mmHg
Molecular Weight 190.5745 Flash Point 86 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 103877-56-1 (2,5-DIFLUORO-4-METHYL-BENZOYLCHLORIDE) Hazard Symbols N/A
Synonyms

2,5-Difluoro-4-methyl- (9CI);2,5-Difluoro-4-methylbenzoyl chloride;

 

2,5-Difluoro-4-Methylbenzoyl chloride Specification

The 2,5-Difluoro-4-Methylbenzoyl chloride, with the CAS registry number 103877-56-1, is also known as 2,5-Difluoro-4-methyl- (9CI). It belongs to the product category of Acidhalide. This chemical's molecular formula is C8H5ClF2O and molecular weight is 190.5745. What's more, both its IUPAC name and systematic name are the same which is called 2,5-Difluoro-4-methylbenzoyl chloride.

Physical properties about 2,5-Difluoro-4-Methylbenzoyl chloride are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 57.67; (6)ACD/BCF (pH 7.4): 57.67; (7)ACD/KOC (pH 5.5): 634.02; (8)ACD/KOC (pH 7.4): 634.02; (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: 1.499; (14)Molar Refractivity: 41.3 cm3; (15)Molar Volume: 140.5 cm3; (16)Polarizability: 16.37×10-24cm3; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 1.356 g/cm3; (19)Flash Point: 86 °C; (20)Enthalpy of Vaporization: 45.51 kJ/mol; (21)Boiling Point: 218.7 °C at 760 mmHg; (22)Vapour Pressure: 0.124 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(C)c(F)cc1C(Cl)=O
(2) InChI: InChI=1/C8H5ClF2O/c1-4-2-7(11)5(8(9)12)3-6(4)10/h2-3H,1H3
(3) InChIKey: CFWIAKKMBXJMOJ-UHFFFAOYAW

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