CAS No.400-67-9,2-AMINO-3-CHLORO-5-NITROBENZOTRIFLUORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	400-67-9
Name:	2-AMINO-3-CHLORO-5-NITROBENZOTRIFLUORIDE

Formula:	C₇H₄ClF₃N₂O₂
Molecular Weight:	240.569
Synonyms:	o-Toluidine,6-chloro-a,a,a-trifluoro-4-nitro- (6CI,8CI);2-Chloro-4-nitro-6-trifluoromethylaniline;2-Chloro-4-nitro-6-trifluoromethylphenylamine;
Density:	1.614 g/cm³
Boiling Point:	286 °C at 760 mmHg
Flash Point:	126.7 °C
Hazard Symbols:	Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	71.84000
LogP:	3.95360

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Specification

The Benzenamine,2-chloro-4-nitro-6-(trifluoromethyl)-, with the CAS registry number 400-67-9, is also known as 2-Chloro-4-nitro-6-trifluoromethylphenylamine. This chemical's molecular formula is C₇H₄ClF₃N₂O₂ and molecular weight is 240.57. What's more, its systematic name is 2-chloro-4-nitro-6-(trifluoromethyl)aniline.

Physical properties of Benzenamine,2-chloro-4-nitro-6-(trifluoromethyl)- are: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 4.23; (5)ACD/BCF (pH 5.5): 958.54; (6)ACD/BCF (pH 7.4): 958.54; (7)ACD/KOC (pH 5.5): 4740.63; (8)ACD/KOC (pH 7.4): 4740.63; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.84 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 46.9 cm³; (15)Molar Volume: 149 cm³; (16)Polarizability: 18.59×10^-24cm³; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.614 g/cm³; (19)Flash Point: 126.7 °C; (20)Enthalpy of Vaporization: 52.5 kJ/mol; (21)Boiling Point: 286 °C at 760 mmHg; (22)Vapour Pressure: 0.00272 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. 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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1c(cc(cc1Cl)N(=O)=O)C(F)(F)F
(2)InChI: InChI=1S/C7H4ClF3N2O2/c8-5-2-3(13(14)15)1-4(6(5)12)7(9,10)11/h1-2H,12H2
(3)InChIKey: MFJODFSUXHFZJR-UHFFFAOYSA-N