5-(Bromomethyl)-2-chloro-3-fluoropyridine

HCID 59297078CAS 904745-61-5

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Basic information

Standard SMILES: Fc1cc(CBr)cnc1Cl
InChIKey: JIHHGLWJEUIQOP-UHFFFAOYSA-N
Molecular formula: C6H4BrClFN
Average molar mass: 224.46 g/mol
Monoisotopic mass: 222.91996713

Names & identifiers

Preferred name: 5-(Bromomethyl)-2-chloro-3-fluoropyridine
IUPAC: 5-(bromomethyl)-2-chloro-3-fluoropyridine

Names & synonyms

5-(bromomethyl)-2-chloro-3-fluoropyridine904745-61-5RefChem:101760895-349-6Pyridine, 5-(bromomethyl)-2-chloro-3-fluoro-3-Bromomethyl-6-chloro-5-fluoropyridineSCHEMBL487408SCHEMBL29596980JIHHGLWJEUIQOP-UHFFFAOYSA-NDTXSID5012694462-chloro-3-fluoro-5-bromomethylpyridineDB-413181

Show more names

EN300-25387031

Database identifiers

CAS: 904745-61-5
PubChem CID: 59297078
DTXSID: DTXSID501269446
EC Number: 895-349-6

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 114

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.