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1,2,3-Trifluoro-5-methoxy-4-nitrobenzene

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Name

1,2,3-Trifluoro-5-methoxy-4-nitrobenzene

EINECS N/A
CAS No. 925890-13-7 Density 1.501g/cm3
PSA 55.05000 LogP 2.54390
Solubility N/A Melting Point N/A
Formula C7H4F3NO3 Boiling Point 258 °C at 760 mmHg
Molecular Weight 207.109 Flash Point 109.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 925890-13-7 (1,2,3-Trifluoro-5-methoxy-4-nitrobenzene) Hazard Symbols N/A
Synonyms

Methyl 3,4,5-trifluoro-2-nitrophenyl ether;Benzene, 1,2,3-trifluoro-5-methoxy-4-nitro-;1,2,3-Trifluoro-5-methoxy-4-nitro-benzene;

 

1,2,3-Trifluoro-5-methoxy-4-nitrobenzene Specification

The 1,2,3-Trifluoro-5-methoxy-4-nitrobenzene, with cas registry number of 925890-13-7, has its molecular formula of C7H4F3NO3. And it is also can be called as Methyl 3,4,5-trifluoro-2-nitrophenyl ether.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.31; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 55.05Å2; (9)Index of Refraction: 1.484; (10)Molar Refractivity: 39.45 cm3; (11)Molar Volume: 137.9 cm3; (12)Polarizability: 15.64×10-24cm3; (13)Surface Tension: 37.2 dyne/cm; (14)Density: 1.501 g/cm3; (15)Flash Point: 109.8 °C; (16)Enthalpy of Vaporization: 47.56 kJ/mol; (17)Boiling Point: 258 °C at 760 mmHg; (18)Vapour Pressure: 0.0227 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1cc(F)c(F)c(F)c1N(=O)=O
(2)InChI: InChI=1/C7H4F3NO3/c1-14-4-2-3(8)5(9)6(10)7(4)11(12)13/h2H,1H3
(3)InChIKey: ZSOYSDLZDZGEFC-UHFFFAOYAY

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