-
Name
3,5-BIS(TRIFLUOROMETHYL)TOLUENE
- EINECS
- CAS No. 75462-61-2
- Article Data2
- CAS DataBase
- Density 1.32 g/cm3
- Solubility
- Melting Point
- Formula C9H6F6
- Boiling Point 125.9 °C at 760 mmHg
- Molecular Weight 228.137
- Flash Point 29.3 °C
- Transport Information
- Appearance
- Safety 26-36
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 1-Methyl-3,5-bis(trifluoromethyl)benzene;3,5-Bis(trifluoromethyl)toluene;
- PSA 0.00000
- LogP 4.03260
Benzene,1-methyl-3,5-bis(trifluoromethyl)- Specification
The Benzene,1-methyl-3,5-bis(trifluoromethyl)-, with the CAS registry number 75462-61-2, is also known as 3,5-Di(trifluoromethyl)toluene. This chemical's molecular formula is C9H6F6 and molecular weight is 228.13. What's more, its systematic name is 1-methyl-3,5-bis(trifluoromethyl)benzene.
Physical properties of Benzene,1-methyl-3,5-bis(trifluoromethyl)- are: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.1; (4)ACD/LogD (pH 7.4): 4.1; (5)ACD/BCF (pH 5.5): 771.55; (6)ACD/BCF (pH 7.4): 771.55; (7)ACD/KOC (pH 5.5): 4058.59; (8)ACD/KOC (pH 7.4): 4058.59; (9)Index of Refraction: 1.39; (10)Molar Refractivity: 41.03 cm3; (11)Molar Volume: 172.7 cm3; (12)Polarizability: 16.26×10-24 cm3; (13)Surface Tension: 18.7 dyne/cm; (14)Density: 1.32 g/cm3; (15)Flash Point: 29.3 °C; (16)Enthalpy of Vaporization: 34.87 kJ/mol; (17)Boiling Point: 125.9 °C at 760 mmHg; (18)Vapour Pressure: 14.4 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
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. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C
(2)InChI: InChI=1/C9H6F6/c1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15/h2-4H,1H3
(3)InChIKey: WGUXTQDCAZNJIF-UHFFFAOYAU
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