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3-Bromopyridine(CAS No. 626-55-1)

3-Bromopyridine C5H4BrN (cas 626-55-1) Molecular Structure

626-55-1 Structure

Identification and Related Records

【Name】
3-Bromopyridine
【Iupac name】
3-bromopyridine
【CAS Registry number】
626-55-1
【EINECS(EC#)】
210-952-0
【Molecular Formula】
C5H4BrN (Products with the same molecular formula)
【Molecular Weight】
158
【Inchi】
InChI=1/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H
【Canonical SMILES】
C1=CC(=CN=C1)Br
【MOL File】
626-55-1.mol

Chemical and Physical Properties

【Appearance】
clear yellow to brown liquid Purity (%) 99.0 min.
【Density】
1.64
【Melting Point】
-27°C
【Boiling Point】
173℃
【Refractive Index】
1.569-1.571
【Flash Point】
51℃
【Solubilities】
Slightly soluble
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29333999
【Storage temp】
Flammables area
【Computed Properties】
Molecular Weight:157.99596 [g/mol]
Molecular Formula:C5H4BrN
XLogP3:1.6
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:156.952712
MonoIsotopic Mass:156.952712
Topological Polar Surface Area:12.9
Heavy Atom Count:7
Formal Charge:0
Complexity:56
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
T:Toxic
【Risk Statements】
R10;R23/24/25;R36/37/38
【Safety Statements 】
S16;S26;S28;S36/37/39;S38;S45
【HazardClass】
6.1
【Hazard Note】

Toxic/Flammable/Irritant

【PackingGroup 】
III
【Transport】
UN 1993 3/PG 3

Use and Manufacturing

【Usage】

Pyridine as novel substrate for regioselective oxygenation with aromatic peroxygenase from Agrocybe aegerita.

Supplier Location

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