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2-((3-Bromophenoxy)methyl)pyridine

HCID 22285283
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
488799-65-1
Standard SMILES
Brc1cccc(OCc2ccccn2)c1
InChIKey
IUFXJEPKUCXNNC-UHFFFAOYSA-N
Molecular formula
C12H10BrNO
Average molar mass
264.12 g/mol
Monoisotopic mass
262.99458

Names & identifiers

Preferred name
2-((3-Bromophenoxy)methyl)pyridine
IUPAC
2-[(3-bromophenoxy)methyl]pyridine
English name
2-[(3-bromophenoxy)methyl]pyridine
Molecular formula
C12H10BrNO
Molecular weight
264.12

Names & synonyms

2-((3-Bromophenoxy)methyl)pyridine488799-65-12-(3-Bromophenoxymethyl)pyridine2-[(3-Bromophenoxy)methyl]pyridineMFCD09928322SCHEMBL2649525SCHEMBL29468767DTXSID70624378IUFXJEPKUCXNNC-UHFFFAOYSA-NAKOS000168361BS-28738DA-42327
Show more names
Pyridine, 2-[(3-bromophenoxy)methyl]-1-Bromo-3-(pyridin-2-ylmethyl)benzene

Database identifiers

CAS
488799-65-1
PubChem CID
22285283
DTXSID
DTXSID70624378

Properties

Computed structural properties

XLogP
3
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
188

Physicochemical properties

storage temp.
2 · 2-8°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Related reactions

2 records
New reaction record
HRID 109601 reaction equation
HRID 109601As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1061805 reaction equation
HRID 1061805As productuspto-grants-2005_11

Compound notes

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