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CAS No.: | 348-59-4 |
---|---|
Name: | 2,5-DICHLOROFLUOROBENZENE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H3Cl2F |
Molecular Weight: | 164.994 |
Synonyms: | 1,4-Dichloro-2-fluorobenzene;1-Fluoro-2,5-dichlorobenzene;2,5-Dichloro-1-fluorobenzene;2,5-Dichlorofluorobenzene;NSC 10256; |
Density: | 1.403 g/cm3 |
Melting Point: | 4 °C |
Boiling Point: | 170.6 °C at 760 mmHg |
Flash Point: | 58.1 °C |
Appearance: | clear colorless liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26 |
Transport Information: | UN 1992 |
PSA: | 0.00000 |
LogP: | 3.13250 |
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The 2,5-Dichlorofluorobenzene with cas registry number of 348-59-4 belongs to several categories: Other fluorin-contained compounds; Chlorine Compounds; Fluorine Compounds. Both its systematic name and IUPAC name are the same which is called 1,4-dichloro-2-fluorobenzene. It is clear colorless liquid.
The physical properties about this chemical are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 123.7; (6)ACD/BCF (pH 7.4): 123.7; (7)ACD/KOC (pH 5.5): 1094.8; (8)ACD/KOC (pH 7.4): 1094.8; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 36.03 cm3; (14)Molar Volume: 117.5 cm3; (15)Surface Tension: 35.1 dyne/cm; (16)Density: 1.403 g/cm3; (17)Flash Point: 58.1 °C; (18)Enthalpy of Vaporization: 39.02 kJ/mol; (19)Boiling Point: 170.6 °C at 760 mmHg; (20)Vapour Pressure: 1.94 mmHg at 25°C ; (21)Refractive index: 1.5235-1.5255.
Uses of 2,5-Dichlorofluorobenzene: it can be used to produce other chemicals. Here is an example. It can react with reagent AgF2 and solvent hexane for 18 hours to produce 1-chloro-4-fluoro-benzene; 4-chloro-1,2-difluoro-benzene; 1,4-dichloro-2-fluoro-benzene; 3,3,6,6-tetrafluoro-1,4-cyclohexadiene and 1,4-dichloro-3,3,6-trifluoro-1,4-cyclohexadiene.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with
plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(Cl)c(F)c1;
(2)InChI: InChI=1/C6H3Cl2F/c7-4-1-2-5(8)6(9)3-4/h1-3H;
(3)InChIKey: BJQTYCQGIXZSNM-UHFFFAOYAX