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5-BroMo-4-fluoro-2-nitroaniline

5-BroMo-4-fluoro-2-nitroaniline structure

CAS No:
1052686-50-6
Formula:
C6H4BrFN2O2
Chemical Name:
5-BroMo-4-fluoro-2-nitroaniline
Synonyms:
5-Bromo-4-fluoro-2-nitroaniline;ACMC-2098fh;SCHEMBL1192875;CTK8A9097;KS-00000QQX;DTXSID00736074;ANW-15195;MFCD21332915;ZINC82046449;5-Bromo-4-fluoro-2-nitro-phenylamine
Categories:
Organic Chemistry > Coordination Complexes

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5-BroMo-4-fluoro-2-nitroaniline Basic Attributes

Molecular Weight：

235.0105632

Exact Mass：

233.944

DSSTox ID：

DTXSID00736074

Characteristics

PSA：

71.8

XLogP3：

2.4

Density：

1.896±0.06 g/cm3(Predicted)

Boiling Point：

336.7±37.0 °C(Predicted)

5-BroMo-4-fluoro-2-nitroaniline Use and Manufacturing

Synthesis of 153-1. A solution of 153-0 (2.00 g, 8.4 mmol) and (NHA solution of 1-bromo-2, 5-difluoro-4-nitrobenzene (2 g, 8.43 mmol) inmethanolic ammonia (25 mL) was heated at 60°C in a sealed tube, for 18h. The reactionwas concentrated in vacuo, and the residue purified by column chromatography (Si02, 0-30 percent EtOAc/hexanes), yielding the title compound as a yellow solid (1.4 g, 73percent). 1HNMR (400 MHz, CDC13) 7.90 (d, 1H), 7.10 (d, 1H), 5.98 (bs, 2H).

Computed Properties

Molecular Weight:235.01
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:233.94402
Monoisotopic Mass:233.94402
Topological Polar Surface Area:71.8
Heavy Atom Count:12
Complexity:187
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1052686-50-6

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Guide of 5-BroMo-4-fluoro-2-nitroaniline

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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