CAS 909274-50-6 2-Azido-1-bromo-4-fluorobenzene (HCID 21069825)

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Basic information

CAS: 909274-50-6
Standard SMILES: [N-]=[N+]=Nc1cc(F)ccc1Br
InChIKey: IGDQOIBCFYWRBZ-UHFFFAOYSA-N
Molecular formula: C6H3BrFN3
Average molar mass: 216.01 g/mol

Names & identifiers

Preferred name: 2-Azido-1-bromo-4-fluorobenzene
IUPAC: 2-azido-1-bromo-4-fluorobenzene

Names & synonyms

2-azido-1-bromo-4-fluorobenzene909274-50-6RefChem:465470860-204-8benzene, 2-azido-1-bromo-4-fluoro-SCHEMBL13447958IGDQOIBCFYWRBZ-UHFFFAOYSA-NEN300-281579F1906-9738

Database identifiers

CAS: 909274-50-6
PubChem CID: 21069825
EC Number: 860-204-8

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 14.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 181

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+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.