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3-Bromo-5-chloro-4-nitropyridine

HCID 72207232
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Basic information

CAS
1335057-82-3
Standard SMILES
O=[N+]([O-])c1c(Cl)cncc1Br
InChIKey
BJDCBDIJNGXVIT-UHFFFAOYSA-N
Molecular formula
C5H2BrClN2O2
Average molar mass
237.44 g/mol
Monoisotopic mass
235.89882

Names & identifiers

Preferred name
3-Bromo-5-chloro-4-nitropyridine
IUPAC
3-bromo-5-chloro-4-nitropyridine
English name
3-Bromo-5-chloro-4-nitropyridine
Molecular formula
C5H2BrClN2O2
Molecular weight
237.44

Names & synonyms

3-Bromo-5-chloro-4-nitropyridine1335057-82-3KDC057823-Bromo-5-Chloro-4-Nitro-PyridineCS-0370280EN300-7763747Pyridine, 3-bromo-5-chloro-4-nitro-

Database identifiers

CAS
1335057-82-3
PubChem CID
72207232
EC Number
884-614-1

Properties

Computed structural properties

XLogP
2
Topological polar surface area
58.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11
Formal charge
0
Complexity
163

Physicochemical properties

Boiling point
257.2 · 257.2±35.0 °C(Predicted)
Density
1.936 · 1.936±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
-3.34 · -3.34±0.28(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

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