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153471-75-1

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Basic Information
CAS No.: 153471-75-1
Name: 2-Chloro-4-fluoro-5-nitrophenyl ethyl carbonate
Article Data: 4
Molecular Structure:
Molecular Structure of 153471-75-1 (2-Chloro-4-fluoro-5-nitrophenyl ethyl carbonate)
Formula: C9H7ClFNO5
Molecular Weight: 263.61
Synonyms: carbonic acid 2-chloro-4-fluoro-5-nitro-phenyl ester ethyl ester;MS-1077;2-chloro-4-fluoro-5-nitrophenyl ethyl carbonate;
Density: 1.481 g/cm3
Boiling Point: 351.6 °C at 760 mmHg
Flash Point: 166.4 °C
PSA: 81.35000
LogP: 3.44580
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  • 2-chloro-4-fluoro-5-nitrophenyl ethyl carbonate

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    2-chloro-4-fluoro-5-nitrophenyl ethyl carbonate

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Specification

The 2-Chloro-4-fluoro-5-nitrophenyl ethyl carbonate, with the CAS registry number 153471-75-1, is a kind of organic, and should be stored at dry and cool environment. And the molecular formula of the chemical is C9H7ClFNO5.

The characteristics of 2-Chloro-4-fluoro-5-nitrophenyl ethyl carbonate as followings: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 81.35 Å2; (7)Index of Refraction: 1.535; (8)Molar Refractivity: 55.4 cm3; (9)Molar Volume: 177.9 cm3; (10)Polarizability: 21.96×10-24cm3; (11)Surface Tension: 47.3 dyne/cm; (12)Density: 1.481 g/cm3; (13)Flash Point: 166.4 °C; (14)Enthalpy of Vaporization: 59.63 kJ/mol; (15)Boiling Point: 351.6 °C at 760 mmHg; (16)Vapour Pressure: 4.06E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(F)c(cc1OC(=O)OCC)[N+]([O-])=O
(2)InChI: InChI=1/C9H7ClFNO5/c1-2-16-9(13)17-8-4-7(12(14)15)6(11)3-5(8)10/h3-4H,2H2,1H3
(3)InChIKey: BGMMWAHLBZGOBB-UHFFFAOYAO