2-Bromo-6-ethynylpyridine

HCID 12970532

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Basic information

CAS: 445468-63-3
Standard SMILES: C#Cc1cccc(Br)n1
InChIKey: UFUJEEUTQKDBAA-UHFFFAOYSA-N
Molecular formula: C7H4BrN
Average molar mass: 182.02 g/mol
Monoisotopic mass: 180.95271123

Names & identifiers

Preferred name: 2-Bromo-6-ethynylpyridine
IUPAC: 2-bromo-6-ethynylpyridine
English name: 2-bromo-6-ethynylpyridine
Molecular formula: C7H4BrN
Molecular weight: 182.02

Names & synonyms

2-bromo-6-ethynylpyridine445468-63-3MFCD131897182-Bromo-6-ethynyl-pyridinePYRIDINE, 2-BROMO-6-ETHYNYL-SCHEMBL3510212DTXSID30514226UFUJEEUTQKDBAA-UHFFFAOYSA-NAKOS015994863AB68980BS-49649SY420241

Show more names

DB-364873CS-0158553D82337EN300-2002752F319692

Database identifiers

CAS: 445468-63-3
PubChem CID: 12970532
DTXSID: DTXSID30514226
EC Number: 171-066-7
Nikkaji: J1.759.529F

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 135

Physicochemical properties

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: White to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.