Benzene,1-chloro-2-nitro-3-(trifluoromethyl)- supplier

Name
3-CHLORO-2-NITROBENZOTRIFLUORIDE
EINECS
CAS No. 386-70-9
Density 1.537 g/cm³
Solubility
Melting Point
Formula C₇H₃ClF₃NO₂
Boiling Point 234.4 °C at 760 mmHg
Molecular Weight 225.555
Flash Point 95.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Toluene,3-chloro-2-nitro-a,a,a-trifluoro- (8CI);3-Chloro-2-nitrobenzotrifluoride;
PSA 45.82000
LogP 3.79020

Benzene,1-chloro-2-nitro-3-(trifluoromethyl)- Specification

The Benzene, 1-chloro-2-nitro-3-(trifluoromethyl)-, with the CAS registry number 386-70-9, is also known as 3-Chloro-2-nitrobenzotrifluoride. This chemical's molecular formula is C₇H₃ClF₃NO₂ and molecular weight is 225.55. What's more, its systematic name is 1-Chloro-2-nitro-3-(trifluoromethyl)benzene.

Physical properties about Benzene, 1-chloro-2-nitro-3-(trifluoromethyl)- are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 148.85; (6)ACD/BCF (pH 7.4): 148.85; (7)ACD/KOC (pH 5.5): 1249.87; (8)ACD/KOC (pH 7.4): 1249.87; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 42.67 cm³; (15)Molar Volume: 146.7 cm³; (16)Polarizability: 16.91×10^-24 cm³; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 1.537 g/cm³; (19)Flash Point: 95.6 °C; (20)Enthalpy of Vaporization: 45.2 kJ/mol; (21)Boiling Point: 234.4 °C at 760 mmHg; (22)Vapour Pressure: 0.081 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=N(=O)c1c(cccc1Cl)C(F)(F)F
(2) InChI: InChI=1/C7H3ClF3NO2/c8-5-3-1-2-4(7(9,10)11)6(5)12(13)14/h1-3H
(3) InChIKey: ZECBOHAXBNGMSP-UHFFFAOYAA

Product Name

3-CHLORO-2-NITROBENZOTRIFLUORIDE

Benzene,1-chloro-2-nitro-3-(trifluoromethyl)- Specification

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