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CAS No.: | 1435-44-5 |
---|---|
Name: | 1-Chloro-2,4-difluorobenzene |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C6H3ClF2 |
Molecular Weight: | 148.54 |
Synonyms: | 1-Chloro-2,4-difluorobenzene;2,4-Difluorochlorobenzene;2,4-Difluorophenyl chloride;NSC 10254; |
EINECS: | -0 |
Density: | 1.353 g/cm3 |
Melting Point: | -26 °C |
Boiling Point: | 126.999 °C at 760 mmHg |
Flash Point: | 32.778 °C |
Appearance: | Clear colourless to light yellow liquid |
Hazard Symbols: | Xi,F |
Risk Codes: | 10-36/37/38 |
Safety: | 16-26-36/37/39 |
Transport Information: | UN 1993 3/PG 3 |
PSA: | 0.00000 |
LogP: | 2.61820 |
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This chemical is called Benzene, 1-chloro-2,4-difluoro-, and its systematic name is 1-Chloro-2,4-difluorobenzene. With the molecular formula of C6H3ClF2, its product categories are Aromatic Hydrocarbons (substituted) & Derivatives; Chlorine Compounds; Fluorine Compounds; Aryl; C6; Halogenated Hydrocarbons. The CAS registry number of this chemical is 1435-44-5. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Benzene, 1-chloro-2,4-difluoro- can be summarised as followings: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 114.92; (6)ACD/BCF (pH 7.4): 114.92; (7)ACD/KOC (pH 5.5): 1038.58; (8)ACD/KOC (pH 7.4): 1038.58; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.478; (13)Molar Refractivity: 31.13 cm3; (14)Molar Volume: 109.8 cm3; (15)Polarizability: 12.34×10-24cm3; (16)Surface Tension: 30.1 dyne/cm; (17)Density: 1.352 g/cm3; (18)Flash Point: 32.8 °C; (19)Enthalpy of Vaporization: 34.97 kJ/mol; (20)Boiling Point: 127 °C at 760 mmHg; (21)Vapour Pressure: 13.8 mmHg at 25°C.
Uses of this chemical: The 1,3-dichloro-2,4-difluorobenzene could be obtained by the Benzene, 1-chloro-2,4-difluoro-. This reaction needs the reagent of 1.6 M n-BuLi, and the solvents of tetrahydrofuran, hexane. The yield is 88 %.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. It's flammable. Keep it away from the sources of ignition. 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(Cl)c(F)c1
2.InChI: InChI=1/C6H3ClF2/c7-5-2-1-4(8)3-6(5)9/h1-3H
3.InChIKey: AJCSNHQKXUSMMY-UHFFFAOYAT