Basic information
- CAS
1628508-32-6- Standard SMILES
N#Cc1cc(Br)c(CBr)cc1F- InChIKey
UUBJMNZSXXWTKU-UHFFFAOYSA-N- Molecular formula
- C8H4Br2FN
- Average molar mass
- 292.93 g/mol
- Monoisotopic mass
- 290.86945
Names & identifiers
- Preferred name
- 5-Bromo-4-(bromomethyl)-2-fluorobenzonitrile
- IUPAC
- 5-bromo-4-(bromomethyl)-2-fluorobenzonitrile
Names & synonyms
5-bromo-4-(bromomethyl)-2-fluorobenzonitrile1628508-32-6SCHEMBL16061907SCHEMBL29518514UUBJMNZSXXWTKU-UHFFFAOYSA-NMFCD25459663DB-1686765-Bromo-4-bromomethyl-2-fluoro-benzonitrile
Database identifiers
- CAS
1628508-32-6- PubChem CID
- 90428331
- EC Number
- 187-241-6
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
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+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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