CAS No.115571-68-1,2,3-Dichloro-6-trifluoromethyl-4-nitrotoluene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	115571-68-1
Name:	2,3-Dichloro-6-trifluoromethyl-4-nitrotoluene

Formula:	C₈H₄Cl₂F₃NO₂
Molecular Weight:	274.02
Synonyms:	2,3-Dichloro-6-trifluoromethyl-4-nitrotoluene;3,4-Dichloro-5-nitro-2-methylbenzotrifluoride;Benzene, 2,3-dichloro-4-methyl-1-nitro-5-(trifluoromethyl);2,3-Dichloro-4-methyl-1-nitro-5-(trifluoromethyl)benzene;Benzene, 2,3-dichloro-4-methyl-1-nitro-5-(trifluoromethyl)-;
Density:	1.566 g/cm³
Boiling Point:	270.2 °C at 760 mmHg
Flash Point:	117.2 °C
PSA:	45.82000
LogP:	4.75200

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Specification

This chemical is called 2,3-Dichloro-6-trifluoromethyl-4-nitrotoluene, and it can also be named as 3,4-Dichloro-5-nitro-2-methylbenzotrifluoride. With the CAS registry number of 115571-68-1, its IUPAC name is 2,3-dichloro-4-methyl-1-nitro-5-(trifluoromethyl)benzene. In addition, the molecular formula of this chemical is C₈H₄Cl₂F₃NO₂, and its molecular weight is 274.02.

Other characteristics of the 2,3-Dichloro-6-trifluoromethyl-4-nitrotoluene can be summarised as followings: (1)ACD/LogP: 4.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.3; (4)ACD/LogD (pH 7.4): 4.3; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.82 Å²; (9)Index of Refraction: 1.51; (10)Molar Refractivity: 52.39 cm³; (11)Molar Volume: 174.9 cm³; (12)Polarizability: 20.77×10^-24cm³; (13)Surface Tension: 36.2 dyne/cm; (14)Density: 1.566 g/cm³; (15)Flash Point: 117.2 °C; (16)Enthalpy of Vaporization: 48.79 kJ/mol; (17)Boiling Point: 270.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(cc(c(C)c1Cl)C(F)(F)F)[N+]([O-])=O
(2)InChI: InChI=1/C8H4Cl2F3NO2/c1-3-4(8(11,12)13)2-5(14(15)16)7(10)6(3)9/h2H,1H3
(3)InChIKey: CDAGFTHJEWDKIZ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H4Cl2F3NO2/c1-3-4(8(11,12)13)2-5(14(15)16)7(10)6(3)9/h2H,1H3
(5)Std. InChIKey: CDAGFTHJEWDKIZ-UHFFFAOYSA-N