CAS 886371-28-4 3-Bromo-6-chloroimidazo[1,2-a]pyridine (HCID 45790042)

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Basic information

CAS: 886371-28-4
Standard SMILES: Clc1ccc2ncc(Br)n2c1
InChIKey: LIBKDAUSMLPFBF-UHFFFAOYSA-N
Molecular formula: C7H4BrClN2
Average molar mass: 231.48 g/mol
Monoisotopic mass: 229.92463791

Names & identifiers

Preferred name: 3-Bromo-6-chloroimidazo[1,2-a]pyridine
IUPAC: 3-bromo-6-chloroimidazo[1,2-a]pyridine
English name: 6-CHLORO-3-BROMO-IMIDAZO[1,2-A]PYRIDINE
Molecular formula: C7H4BrClN2
Molecular weight: 231.48

Names & synonyms

3-Bromo-6-chloroimidazo[1,2-a]pyridineDTXSID006721853-bromo-6-chloroimidazo(1,2-a)pyridineRefChem:499056DTXCID10622934102-048-9886371-28-4MFCD086678586-CHLORO-3-BROMO-IMIDAZO[1,2-A]PYRIDINE3-bromo-6-chloro-imidazo[1,2-a]pyridineSCHEMBL3020269AKOS015835731

Show more names

3-broMo-6-chloroH-iMidazo[1,2-a]pyridineIMidazo[1,2-a]pyridine, 3-broMo-6-chloro-

CS-W003535AB45826AS-84123-Bromo-6-chloroimidazo[12-a]pyridineSY030566ALBB-031226LKB371283-Bromo-6-chloro-1H-imidazo[1,2-a]pyridine

Database identifiers

CAS: 886371-28-4
PubChem CID: 45790042
DTXSID: DTXSID00672185
EC Number: 102-048-9

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 17.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 105 · 105-107℃
Density: 1.84 · 1.84
storage temp.: Sealed in dry,Room Temperature
pka: 2.23 · 2.23±0.50(Predicted)
form: solid
Appearance: White to light brown Solid
InChI: 1S/C7H4BrClN2/c8-6-3-10-7-2-1-5(9)4-11(6)7/h1-4H
InChIKey: LIBKDAUSMLPFBF-UHFFFAOYSA-N
SMILES: Clc1ccc2ncc(Br)n2c1
CAS DataBase Reference: 886371 · 886371-28-4
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.