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5-Chloro-2-fluorotoluene

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Name

5-Chloro-2-fluorotoluene

EINECS 207-204-0
CAS No. 452-66-4 Density 1.186 g/cm3
PSA 0.00000 LogP 2.78750
Solubility N/A Melting Point N/A
Formula C7H6ClF Boiling Point 162.7 °C at 760 mmHg
Molecular Weight 144.576 Flash Point 52.5 ºC
Transport Information UN 1993 3/PG 3 Appearance colorless to light yellow liquid
Safety 16-26-36/37/39-37/39 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 452-66-4 (5-Chloro-2-fluorotoluene) Hazard Symbols IrritantXi, FlammableF
Synonyms

Toluene,5-chloro-2-fluoro- (8CI);2-Fluoro-5-chlorotoluene;4-Chloro-1-fluoro-2-methylbenzene;4-Chlor-1-fluor-2-methylbenzol;

 

5-Chloro-2-fluorotoluene Specification

The Benzene,4-chloro-1-fluoro-2-methyl-, with the CAS registry number 452-66-4, is also known as 5-Chloro-2-fluorotoluene. It belongs to the product categories of Fluorin-contained toluene series; Aromatic Halides (substituted); Halogen toluene; Aryl; C7; Halogenated Hydrocarbons. Its EINECS number is 207-204-0. This chemical's molecular formula is C7H6ClF and formula weight is 144.57. What's more, its IUPAC name is 4-chloro-1-fluoro-2-methylbenzene.

Physical properties of Benzene,4-chloro-1-fluoro-2-methyl- are: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 181.6; (6)ACD/BCF (pH 7.4): 181.6; (7)ACD/KOC (pH 5.5): 1441.05; (8)ACD/KOC (pH 7.4): 1441.05; (9)Index of Refraction: 1.502; (10)Molar Refractivity: 35.96 cm3; (11)Molar Volume: 121.8 cm3; (12)Surface Tension: 31.1 dyne/cm; (13)Density: 1.186 g/cm3; (14)Flash Point: 52.5 °C; (15)Enthalpy of Vaporization: 38.28 kJ/mol; (16)Boiling Point: 162.7 °C at 760 mmHg; (17)Vapour Pressure: 2.8 mmHg at 25°C.

Uses of Benzene,4-chloro-1-fluoro-2-methyl-: it can be used to produce 5-chloro-2-fluorobenzyl bromide by heating. It will need reagent NBS, benzoyl peroxide and solvent CCl4 with the reaction time of 5 hours. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and is irritating to eyes, respiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. You should keep away from sources of ignition - No smoking. When using it, you should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1)Cl)F
(2)InChI: InChI=1S/C7H6ClF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
(3)InChIKey: JOXXHDGUTVUBDL-UHFFFAOYSA-N

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