CAS No.103877-56-1,2,5-DIFLUORO-4-METHYL-BENZOYLCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103877-56-1
Name:	2,5-DIFLUORO-4-METHYL-BENZOYLCHLORIDE

Formula:	C₈H₅ClF₂O
Molecular Weight:	190.5745
Synonyms:	2,5-Difluoro-4-methyl- (9CI);2,5-Difluoro-4-methylbenzoyl chloride;
Density:	1.356 g/cm³
Boiling Point:	218.7 °C at 760 mmHg
Flash Point:	86 °C
Risk Codes:	34
Safety:	26-36/37/39
PSA:	17.07000
LogP:	2.65220

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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