2-Bromo-4-methoxypyridine

HCID 4738484

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Basic information

CAS: 89488-29-9
Standard SMILES: COc1ccnc(Br)c1
InChIKey: AWBDARKONATUHX-UHFFFAOYSA-N
Molecular formula: C6H6BrNO
Average molar mass: 188.02 g/mol
Monoisotopic mass: 186.96327591

Names & identifiers

Preferred name: 2-Bromo-4-methoxypyridine
IUPAC: 2-bromo-4-methoxypyridine
English name: 2-Bromo-4-methoxypyridine
Molecular formula: C6H6BrNO
Molecular weight: 188.02

Names & synonyms

2-Bromo-4-methoxypyridine89488-29-9DTXSID70406217RefChem:257236DTXCID80357069800-556-1MFCD062546132-bromo-4-methoxy-pyridinePYRIDINE, 2-BROMO-4-METHOXY-4-methoxy-2-bromopyridineSCHEMBL451020SCHEMBL7759097

Show more names

bromo-4-methoxypyridinePyridine,2-bromo-4-methoxy-2-Bromo-4-methoxypyridine 98%2-Bromo-4-methoxypyridine ISO 9001：2015 REACH

SCHEMBL29994007AWBDARKONATUHX-UHFFFAOYSA-NCS-D1649AKOS002664333AB23696PS-8448AC-23005SY029023

Database identifiers

CAS: 89488-29-9
PubChem CID: 4738484
DTXSID: DTXSID70406217
EC Number: 800-556-1
Nikkaji: J2.554.282G

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 89.1

Physicochemical properties

Boiling point: 120 · 120-121 °C(Press: 10 Torr)
Density: 1.53 · 1.530±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 2.1 · 2.10±0.10(Predicted)
form: solid
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335
Precautionary statements: 261 · P261-P271
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.