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3-(5-BROMO-2-METHYL-4-NITRO-1H-IMIDAZOL-1-YL)PROPANENITRILE

3-(5-BROMO-2-METHYL-4-NITRO-1H-IMIDAZOL-1-YL)PROPANENITRILE structure

CAS No:
139975-78-3
Formula:
C7H7BrN4O2
Chemical Name:
3-(5-BROMO-2-METHYL-4-NITRO-1H-IMIDAZOL-1-YL)PROPANENITRILE
Synonyms:
3-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)propanenitrile;1H-Imidazole-1-propanenitrile,5-bromo-2-methyl-4-nitro-;ACMC-20mzd1;CTK4C2016;DTXSID60379360;ZINC2555750;4147AD;AKOS015912303;AS-9133;DB-042496

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3-(5-BROMO-2-METHYL-4-NITRO-1H-IMIDAZOL-1-YL)PROPANENITRILE Basic Attributes

Molecular Weight：

259.06

Exact Mass：

257.97500

DSSTox ID：

DTXSID60379360

HScode：

2933290090

Characteristics

PSA：

87.4

XLogP3：

2.29908

Density：

1.77±0.1 g/cm3(Predicted)

Melting Point：

152-155°C

Boiling Point：

445.6±35.0 °C(Predicted)

Flash Point：

223.3ºC

Refractive Index：

1.664

Vapor Pressure：

3.91E-08mmHg at 25°C

Safety Information

Transport codes：

3276

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

Xn:Harmful;

Computed Properties

Molecular Weight:259.06
XLogP3:0.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:257.97524
Monoisotopic Mass:257.97524
Topological Polar Surface Area:87.4
Heavy Atom Count:14
Complexity:271
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(5-BROMO-2-METHYL-4-NITRO-1H-IMIDAZOL-1-YL)PROPANENITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(5-BROMO-2-METHYL-4-NITRO-1H-IMIDAZOL-1-YL)PROPANENITRILE

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