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2-Bromo-4-nitropyridine

2-Bromo-4-nitropyridine structure

CAS No:
6945-67-1
Formula:
C5H3BrN2O2
Chemical Name:
2-Bromo-4-nitropyridine
Synonyms:
2-BROMO-4-NITROPYRIDINE;6945-67-1;2-Bromo-4-nitropyridine 95%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Light yellow solid

2-Bromo-4-nitropyridine Basic Attributes

Molecular Weight：

202.99

Exact Mass：

201.937775

NSC Number：

52199

DSSTox ID：

DTXSID30287685

HScode：

2933399090

Characteristics

PSA：

58.7

XLogP3：

1.7

Density：

1.8±0.1 g/cm3

Melting Point：

64℃

Boiling Point：

286°C at 760 mmHg

Flash Point：

126.8±21.8 °C

Refractive Index：

1.614

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (10.87%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-4-nitropyridine Use and Manufacturing

[ STEP B] To compound 232 (17g, [78MMOL)] in CHC13 (200 mL) was added PBr3 (7. [4ML)] and the subsequent mixture was refluxed for 1 hour or until completion of reaction as shown by thin layer chromatography. The reaction was cooled, the majority of the solvent removed under reduced pressure and the residue poured onto ice to produce a yellow solid. The product was collected by filtration to produce 234 [(14.] 5g, 92percent).

Computed Properties

Molecular Weight:202.99
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Exact Mass:201.93779
Monoisotopic Mass:201.93779
Topological Polar Surface Area:58.7
Heavy Atom Count:10
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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