Basic information
- CAS
1093880-25-1- Standard SMILES
O=C(CF)c1cccc(Br)n1- InChIKey
OQJONGCUDXVYOO-UHFFFAOYSA-N- Molecular formula
- C7H5BrFNO
- Average molar mass
- 218.02 g/mol
- Monoisotopic mass
- 216.95385
Names & identifiers
- Preferred name
- 1-(6-Bromopyridin-2-yl)-2-fluoroethanone
- IUPAC
- 1-(6-bromo-2-pyridinyl)-2-fluoroethanone
Names & synonyms
1093880-25-11-(6-bromopyridin-2-yl)-2-fluoroethanone1-(6-bromopyridin-2-yl)-2-fluoroethan-1-oneSCHEMBL3511203OQJONGCUDXVYOO-UHFFFAOYSA-NMFCD28337620DB-089139F86494EN300-7781058Z2181973769
Database identifiers
- CAS
1093880-25-1- PubChem CID
- 59526299
- EC Number
- 112-774-8
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；STOT SE 3 (100%)
Related reactions
4 records
Compound notes
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