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Molecular_Structure:
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['1 . Molar refractive index 4524 ', '2 . Molar volume 1270 ', '3 . Parachor （902K）3225 ', '4 . Surface tension 415 ', '5 . Dielectric constant ', '6 偶极距1793']
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|
Flash_Point:
|
101.7±0.0 °C
|
|
Refractive_Index:
|
1.630
|
|
FW:
|
183.045
|
|
Density:
|
1.4±0.1 g/cm3
|
|
Bolling_Point:
|
220.9±9.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1 . XlogP 29 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 0 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 907 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
LogP:
|
2.99
|
|
Melting_Point:
|
7 °C(lit.)
|
|
MF:
|
C8H7Br
|
|
More_Info:
|
['1 . Appearance 微Yellow Liquid 。顺反式异构体的混合物。有芳香气味。 ', '2 . Density（g/mL,25/4℃）反式14269，顺式14322 ', '3 . Melting point（ºC）反式7℃，顺式-7～-6℃ ', '4 . Boiling point（ºC）反式219℃（少量分解），108℃（267kPa），顺式55～56℃（027kPa） ', '5 . Refractive index反式16049，顺式15990 ', '6 . Flash point（ºC）79 ', '7 . Solubility Soluble in 4份90%的 Ethanol 。Insoluble in Water 。易聚合。']
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|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
|
|
Exact_Mass:
|
181.973099
|
