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75462-61-2

Basic Information
CAS No.: 75462-61-2
Name: Benzene,1-methyl-3,5-bis(trifluoromethyl)-
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 75462-61-2 (Benzene,1-methyl-3,5-bis(trifluoromethyl)-)
Formula: C9H6F6
Molecular Weight: 228.137
Synonyms: 1-Methyl-3,5-bis(trifluoromethyl)benzene;3,5-Bis(trifluoromethyl)toluene;
EINECS: N/A
Density: 1.32 g/cm3
Melting Point: N/A
Boiling Point: 125.9 °C at 760 mmHg
Flash Point: 29.3 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information: N/A
PSA: 0.00000
LogP: 4.03260
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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