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3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene

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Name

3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene

EINECS 1533716-785-6
CAS No. 115571-66-9 Density 1.566 g/cm3
PSA 45.82000 LogP 4.75200
Solubility N/A Melting Point N/A
Formula C8H4Cl2F3NO2 Boiling Point 255.8 °C at 760 mmHg
Molecular Weight 274.026 Flash Point 108.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 115571-66-9 (3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene) Hazard Symbols ToxicT, IrritantXi
Synonyms

1-Methyl-2-trifluoromethyl-4,5-dichloro-6-nitrobenzene;

 

3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene Specification

The Benzene,1,2-dichloro-4-methyl-3-nitro-5-(trifluoromethyl)-, with CAS registry number 115571-66-9, has the systematic name of 1,2-dichloro-4-methyl-3-nitro-5-(trifluoromethyl)benzene. Besides this, it is also called benzene, 1,2-dichloro-4-methyl-3-nitro-5-(trifluoromethyl)-. And the chemical formula of this chemical is C8H4Cl2F3NO2.

Physical properties of Benzene,1,2-dichloro-4-methyl-3-nitro-5-(trifluoromethyl)-: (1)ACD/LogP: 4.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.82 Å2; (7)Index of Refraction: 1.51; (8)Molar Refractivity: 52.39 cm3; (9)Molar Volume: 174.9 cm3; (10)Polarizability: 20.77×10-24cm3; (11)Surface Tension: 36.2 dyne/cm; (12)Enthalpy of Vaporization: 47.33 kJ/mol; (13)Vapour Pressure: 0.0257 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1,2-dichloro-4-methyl-3-nitro-5-(trifluoromethyl)- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. 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: Clc1c([N+]([O-])=O)c(c(cc1Cl)C(F)(F)F)C
(2)InChI: InChI=1/C8H4Cl2F3NO2/c1-3-4(8(11,12)13)2-5(9)6(10)7(3)14(15)16/h2H,1H3
(3)InChIKey: IBRWCYHTODRXJR-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H4Cl2F3NO2/c1-3-4(8(11,12)13)2-5(9)6(10)7(3)14(15)16/h2H,1H3
(5)Std. InChIKey: IBRWCYHTODRXJR-UHFFFAOYSA-N

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