CAS No.115571-61-4,2,4-Dichloro-5-methylbenzotrifluoride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	115571-61-4
Name:	2,4-Dichloro-5-methylbenzotrifluoride

Formula:	C₈H₅Cl₂F₃
Molecular Weight:	229.03
Synonyms:	2,4-Dichloro-5-trifluoromethyltoluene;
Density:	1.404 g/cm³
Melting Point:	136-140
Boiling Point:	212.875 °C at 760 mmHg
Flash Point:	94.664 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	0.00000
LogP:	4.32060

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Specification

The Benzene,1,5-dichloro-2-methyl-4-(trifluoromethyl)-, with CAS registry number 115571-61-4, belongs to the following product category: Trifluoromethylbenzene serise. It has the systematic name of 1,5-dichloro-2-methyl-4-(trifluoromethyl)benzene. And the chemical formula of this chemical is C₈H₅Cl₂F₃.

Physical properties of Benzene,1,5-dichloro-2-methyl-4-(trifluoromethyl)-: (1)ACD/LogP: 4.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.67; (4)ACD/LogD (pH 7.4): 4.67; (5)ACD/BCF (pH 5.5): 2067.61; (6)ACD/BCF (pH 7.4): 2067.61; (7)ACD/KOC (pH 5.5): 8218.81; (8)ACD/KOC (pH 7.4): 8218.81; (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: 1.474; (14)Molar Refractivity: 45.84 cm³; (15)Molar Volume: 163.1 cm³; (16)Polarizability: 18.17×10^-24cm³; (17)Surface Tension: 27.5 dyne/cm; (18)Enthalpy of Vaporization: 43.09 kJ/mol; (19)Vapour Pressure: 0.246 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1,5-dichloro-2-methyl-4-(trifluoromethyl)- 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: FC(F)(F)c1cc(c(Cl)cc1Cl)C
(2)InChI: InChI=1/C8H5Cl2F3/c1-4-2-5(8(11,12)13)7(10)3-6(4)9/h2-3H,1H3
(3)InChIKey: IEODOJMCKLXBMU-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H5Cl2F3/c1-4-2-5(8(11,12)13)7(10)3-6(4)9/h2-3H,1H3
(5)Std. InChIKey: IEODOJMCKLXBMU-UHFFFAOYSA-N