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CAS No.: | 54773-20-5 |
---|---|
Name: | 3,5-DICHLOROBENZOTRIFLUORIDE, 98 |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C7H3Cl2F3 |
Molecular Weight: | 215.002 |
Synonyms: | 1,3-Dichloro-5-(trifluoromethyl)benzene;3,5-Dichloro-a,a,a-trifluorotoluene;3,5-Dichlorobenzotrifluoride; |
EINECS: | 259-337-9 |
Density: | 1.464 g/cm3 |
Melting Point: | -13 °C |
Boiling Point: | 163.2 °C at 760 mmHg |
Flash Point: | 61.3 °C |
Appearance: | clear colorless to slightly yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 0.00000 |
LogP: | 4.01220 |
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The Benzene,1,3-dichloro-5-(trifluoromethyl)-, with the CAS registry number 54773-20-5, is also known as EINECS 259-337-9. Its EINECS registry number is 259-337-9. This chemical's molecular formula is C7H3Cl2F3 and molecular weight is 213.95639. Its IUPAC name is called 1,3-dichloro-5-(trifluoromethyl)benzene. The product should be sealed and stored in cool and dry place. This chemical is clear colorless to slightly yellow liquid.
Physical properties of Benzene,1,3-dichloro-5-(trifluoromethyl)-: (1)ACD/LogP: 4.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.38; (4)ACD/LogD (pH 7.4): 4.38; (5)ACD/BCF (pH 5.5): 1258.57; (6)ACD/BCF (pH 7.4): 1258.57; (7)ACD/KOC (pH 5.5): 5760.9; (8)ACD/KOC (pH 7.4): 5760.9; (9)Index of Refraction: 1.47; (10)Molar Refractivity: 41.02 cm3; (11)Molar Volume: 146.8 cm3; (12)Surface Tension: 27.4 dyne/cm; (13)Density: 1.464 g/cm3; (14)Flash Point: 61.3 °C; (15)Enthalpy of Vaporization: 38.33 kJ/mol; (16)Boiling Point: 163.2 °C at 760 mmHg; (17)Vapour Pressure: 2.73 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)C(F)(F)F
(2)InChI: InChI=1S/C7H3Cl2F3/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
(3)InChIKey: PCMPDUPKYRRIIP-UHFFFAOYSA-N