3-Fluorobenzene-1-sulfonyl bromide
Basic information
- CAS
1612228-59-7- Standard SMILES
O=S(=O)(Br)c1cccc(F)c1- InChIKey
NFMLREOYPXLUNU-UHFFFAOYSA-N- Molecular formula
- C6H4BrFO2S
- Average molar mass
- 239.06 g/mol
- Monoisotopic mass
- 237.90994
Names & identifiers
- Preferred name
- 3-Fluorobenzene-1-sulfonyl bromide
- IUPAC
- 3-fluorobenzenesulfonyl bromide
Names & synonyms
3-fluorobenzene-1-sulfonyl bromide1612228-59-7RefChem:501940989-739-63-fluorobenzenesulfonyl bromideEN300-198070
Database identifiers
- CAS
1612228-59-7- PubChem CID
- 23452802
- EC Number
- 989-739-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 221
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]
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%)
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Related reactions
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Compound notes
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