CAS No.455-84-5,4-Fluoro-3-methylbenzoyl chloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	455-84-5
Name:	4-Fluoro-3-methylbenzoyl chloride
Article Data:	9

Formula:	C₈H₆ClFO
Molecular Weight:	172.586
Synonyms:	m-Toluoylchloride, 4-fluoro- (8CI);3-Methyl-4-fluorobenzoyl chloride;4-Fluoro-3-methylbenzoyl chloride;
EINECS:	-0
Density:	1.265 g/cm³
Boiling Point:	214.1 °C at 760 mmHg
Flash Point:	83.3 °C
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39-45
Transport Information:	UN 3265
PSA:	17.07000
LogP:	2.51310

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Specification

This chemical is called 4-Fluoro-3-methylbenzoyl chloride, and its systematic name is 4-fluoro-3-methylbenzoyl chloride. With the molecular formula of C₈H₆ClFO, its molecular weight is 172.58. The CAS registry number of this chemical is 455-84-5. Additionally, its product categories are Acid Halides; Carbonyl Compounds; Organic Building Blocks. It should be sealed in the cool and dry plcace.

Other characteristics of the 4-Fluoro-3-methylbenzoyl chloride can be summarised as followings: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 92.6; (6)ACD/BCF (pH 7.4): 92.6; (7)ACD/KOC (pH 5.5): 889.83; (8)ACD/KOC (pH 7.4): 889.83; (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: 1.518; (14)Molar Refractivity: 41.31 cm³; (15)Molar Volume: 136.3 cm³; (16)Polarizability: 16.37×10^-24cm³; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.265 g/cm³; (19)Flash Point: 83.3 °C; (20)Enthalpy of Vaporization: 45.04 kJ/mol; (21)Boiling Point: 214.1 °C at 760 mmHg; (22)Vapour Pressure: 0.158 mmHg at 25°C.

Uses of this chemical: The 4-Fluoro-3-methylbenzoyl chloride could react with 2,4-dichloro-aniline, and obtain the N-(2,4-dichloro-phenyl)-4-fluoro-3-methyl-benzamide. This reaction needs the reagent of NaH, and the solvent of dimethylformamide. The yield is 49 %. In addition, this reaction should be taken for 10 hours at the ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc(C(Cl)=O)cc1C
2.InChI: InChI=1/C8H6ClFO/c1-5-4-6(8(9)11)2-3-7(5)10/h2-4H,1H3
3.InChIKey: FMFLKTDRPXYUGP-UHFFFAOYAK