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| CAS No.: | 93286-22-7 |
|---|---|
| Name: | 2-Chloro-4-fluorobenzyl chloride |
| Molecular Structure: | |
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|
|
| Formula: | C7H5Cl2F |
| Molecular Weight: | 179.021 |
| Synonyms: | 2-Chloro-1-(chloromethyl)-4-fluorobenzene;α,2-Dichloro-4-fluorotoluene; |
| Density: | 1.343 g/cm3 |
| Melting Point: | 7ºC |
| Boiling Point: | 213.5 °C at 760 mmHg |
| Flash Point: | 88.1 °C |
| Appearance: | clear colourless to slightly yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 45-36/37/39-26 |
| PSA: | 0.00000 |
| LogP: | 3.21790 |
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Specification
The Benzene,2-chloro-1-(chloromethyl)-4-fluoro-, with the CAS registry number 93286-22-7, is also known as α,2-Dichloro-4-fluorotoluene. It belongs to the product categories of Halometyl; Miscellaneous. This chemical's molecular formula is C7H5Cl2F and molecular weight is 179.02. What's more, its systematic name is 2-chloro-1-(chloromethyl)-4-fluorobenzene. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides and strong bases.
Physical properties of Benzene,2-chloro-1-(chloromethyl)-4-fluoro- are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.51; (6)ACD/BCF (pH 7.4): 65.51; (7)ACD/KOC (pH 5.5): 694.55; (8)ACD/KOC (pH 7.4): 694.55; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 40.9 cm3; (14)Molar Volume: 133.2 cm3; (15)Polarizability: 16.21×10-24cm3; (16)Surface Tension: 35.5 dyne/cm; (17)Density: 1.343 g/cm3; (18)Flash Point: 88.1 °C; (19)Enthalpy of Vaporization: 43.14 kJ/mol; (20)Boiling Point: 213.5 °C at 760 mmHg; (21)Vapour Pressure: 0.239 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccc(F)cc1Cl
(2)Std. InChI: InChI=1S/C7H5Cl2F/c8-4-5-1-2-6(10)3-7(5)9/h1-3H,4H2
(3)Std. InChIKey: HMIAXVWVTBIGON-UHFFFAOYSA-N