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1435-48-9

Basic Information
CAS No.: 1435-48-9
Name: 1,3-Dichloro-4-fluorobenzene
Molecular Structure:
Molecular Structure of 1435-48-9 (1,3-Dichloro-4-fluorobenzene)
Formula: C6H3Cl2F
Molecular Weight: 164.99
Synonyms: 1-Fluoro-2,4-dichlorobenzene;2,4-Dichloro-1-fluorobenzene;2,4-Dichlorofluorobenzene;2,6-Dichloro-3-fluorophenyl;1,3-Dichloro-4-fluorobenzene;
EINECS: 215-858-3
Density: 1.403 g/cm3
Melting Point: -23 °C
Boiling Point: 178.2 °C at 760 mmHg
Flash Point: 36.7 °C
Solubility: insoluble in water
Appearance: Clear colourless to yellow liquid
Hazard Symbols: HarmfulXn,IrritantXi,DangerousN
Risk Codes: 22-38-48/20/22-51/53-10-36/37/38
Safety: 36/37-61-16-36-26
Transport Information: UN 1993 3/PG 3
PSA: 0.00000
LogP: 3.13250
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Specification

The 1,3-Dichloro-4-fluorobenzene, with the CAS registry number 1435-48-9, is also known as 1,3-Dichloro-4-fluorobenzene. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Fluorobenzene; Chlorine Compounds; Fluorine Compounds; Aryl; C6; Halogenated Hydrocarbons. Its EINECS number is 406-160-1. This chemical's molecular formula is C6H3Cl2F and formula weight is 164.99. What's more, its IUPAC name is 2,4-dichloro-1-fluorobenzene. It is a Clear colourless to yellow liquid.

Physical properties of 1,3-Dichloro-4-fluorobenzene are:
(1)ACD/LogP:  3.643; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  3.64; (4)ACD/LogD (pH 7.4):  3.64; (5)ACD/BCF (pH 5.5):  345.61; (6)ACD/BCF (pH 7.4):  345.61; (7)ACD/KOC (pH 5.5):  2284.13; (8)ACD/KOC (pH 7.4):  2284.13; (9)#H bond acceptors:  0; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  0; (12)Index of Refraction:  1.525; (13)Molar Refractivity:  36.037 cm3; (14)Molar Volume:  117.545 cm3; (15)Surface Tension:  35.1139984130859 dyne/cm; (16)Density:  1.404 g/cm3; (17)Flash Point:  36.667 °C; (18)Enthalpy of Vaporization:  39.746 kJ/mol; (19)Boiling Point:  178.176 °C at 760 mmHg; (20)Vapour Pressure:  1.35300004482269 mmHg at 25°C.

Uses of 1,3-Dichloro-4-fluorobenzene:
it can be used to produce N-(2,4-dichloro-phenoxy)-acetimidic acid ethyl ester at the temperature of 80°C. It will need reagent t-BuOK and solvent dimethylformamide with the reaction time of 1.5 hours. The yield is about 77.8%.

Safety information of 1,3-Dichloro-4-fluorobenzene:
When you are using this chemical, please be cautious about it as the following:It is harmful if swallowed. It can cause danger of serious damage to health by prolonged exposure through inhalation and if swallowed. It is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It is flammable and is irritating to eyes, respiratory system and skin. When using it, you must wear suitable protective clothing and gloves. It should be avoided release to the environment refering to special instructions/safety data sheet. You need keep it away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)F
(2)InChI: InChI=1S/C6H3Cl2F/c7-4-1-2-6(9)5(8)3-4/h1-3H
(3)InChIKey: BDJZCCWUSOZUQG-UHFFFAOYSA-N