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Name |
Benzene,1-chloro-2-nitro-3-(trifluoromethyl)- |
EINECS | N/A |
CAS No. | 386-70-9 | Density | 1.537 g/cm3 |
PSA | 45.82000 | LogP | 3.79020 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H3ClF3NO2 | Boiling Point | 234.4 °C at 760 mmHg |
Molecular Weight | 225.555 | Flash Point | 95.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Toluene,3-chloro-2-nitro-a,a,a-trifluoro- (8CI);3-Chloro-2-nitrobenzotrifluoride; |
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