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CAS No.: | 1435-43-4 |
---|---|
Name: | 3,5-Difluorochlorobenzene |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C6H3ClF2 |
Molecular Weight: | 148.54 |
Synonyms: | 1,3-Difluoro-5-chlorobenzene;1-Chloro-3,5-difluorobenzene;3,5-Difluoro-1-chlorobenzene; |
EINECS: | -0 |
Density: | 1.352 g/cm3 |
Boiling Point: | 119.5 °C at 760 mmHg |
Flash Point: | 24.7 °C |
Appearance: | clear colourless liquid |
Hazard Symbols: | Xi, F |
Risk Codes: | 10-36/37/38 |
Safety: | 16-26-37/39 |
Transport Information: | UN 1993 3/PG 3 |
PSA: | 0.00000 |
LogP: | 2.61820 |
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The Benzene,1-chloro-3,5-difluoro-, with CAS registry number 1435-43-4, belongs to the following product categories: (1)Trifluoromethoxybenzene Series; (2)Miscellaneous; (3)Aryl; (4)C6; (5)Halogenated Hydrocarbons. It has the systematic name of 1-chloro-3,5-difluorobenzene. This chemical is a kind of clear colourless liquid. And it should be stored in cool, dry place.
Physical properties of Benzene,1-chloro-3,5-difluoro-: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 22.11; (6)ACD/BCF (pH 7.4): 22.11; (7)ACD/KOC (pH 5.5): 319.25; (8)ACD/KOC (pH 7.4): 319.25; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 31.13 cm3; (15)Molar Volume: 109.8 cm3; (16)Polarizability: 12.34×10-24cm3; (17)Surface Tension: 30.1 dyne/cm; (18)Enthalpy of Vaporization: 34.28 kJ/mol; (19)Vapour Pressure: 19.1 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzene,1-chloro-3,5-difluoro- is flammable, so keep it away from sources of ignition. This chemical irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Fc1cc(Cl)cc(F)c1
(2)InChI: InChI=1/C6H3ClF2/c7-4-1-5(8)3-6(9)2-4/h1-3H
(3)InChIKey: RFKBODCWHNDUTJ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H3ClF2/c7-4-1-5(8)3-6(9)2-4/h1-3H
(5)Std. InChIKey: RFKBODCWHNDUTJ-UHFFFAOYSA-N