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Pyridine,2-bromo-4-methyl-(CAS No. 4926-28-7)

Pyridine,2-bromo-4-methyl- C6H6BrN (cas 4926-28-7) Molecular Structure

4926-28-7 Structure

Identification and Related Records

【Name】
Pyridine,2-bromo-4-methyl-
【Iupac name】
2-bromo-4-methylpyridine
【CAS Registry number】
4926-28-7
【Synonyms】
4-Picoline,2-bromo- (6CI,7CI,8CI)
2-Bromo-4-picoline
4-Methyl-2-bromopyridine
【Molecular Formula】
C6H6BrN (Products with the same molecular formula)
【Molecular Weight】
172.02
【Inchi】
InChI=1/C6H6BrN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
【Canonical SMILES】
CC1=CC(=NC=C1)Br
【MOL File】
4926-28-7.mol

Chemical and Physical Properties

【Appearance】
Colorless to orange oily liquid
【Density】
1.545
【Melting Point】
218 - 228
【Boiling Point】
87℃ (10 mmHg)
【Refractive Index】
1.56-1.563
【Flash Point】
>230?°F
【Computed Properties】
Molecular Weight:172.02254 [g/mol]
Molecular Formula:C6H6BrN
XLogP3:1.9
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:170.968362
MonoIsotopic Mass:170.968362
Topological Polar Surface Area:12.9
Heavy Atom Count:8
Formal Charge:0
Complexity:74.9
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】
Xn:Harmful
【Risk Statements】
R20/21/22;R36/37/38
【Safety Statements 】
S26;S36/37/39
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

Supplier Location

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