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4-Fluoro-3-methylbenzoyl chloride

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Name

4-Fluoro-3-methylbenzoyl chloride

EINECS -0
CAS No. 455-84-5 Density 1.265 g/cm3
PSA 17.07000 LogP 2.51310
Solubility N/A Melting Point N/A
Formula C8H6ClFO Boiling Point 214.1 °C at 760 mmHg
Molecular Weight 172.586 Flash Point 83.3 °C
Transport Information UN 3265 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 455-84-5 (4-Fluoro-3-methylbenzoyl chloride) Hazard Symbols CorrosiveC
Synonyms

m-Toluoylchloride, 4-fluoro- (8CI);3-Methyl-4-fluorobenzoyl chloride;4-Fluoro-3-methylbenzoyl chloride;

Article Data 9

4-Fluoro-3-methylbenzoyl chloride 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

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