Basic information
- CAS
1382851-48-0- Standard SMILES
Cc1cnc(C(O)C(F)(F)F)cc1Br- InChIKey
VXBVBIPROLZSHF-UHFFFAOYSA-N- Molecular formula
- C8H7BrF3NO
- Average molar mass
- 270.05 g/mol
- Monoisotopic mass
- 268.96631
Names & identifiers
- Preferred name
- 1-(4-Bromo-5-methylpyridin-2-yl)-2,2,2-trifluoroethan-1-ol
- IUPAC
- 1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol
Names & synonyms
1382851-48-01-(4-bromo-5-methylpyridin-2-yl)-2,2,2-trifluoroethan-1-olRefChem:424929859-217-11-(4-bromo-5-methylpyridin-2-yl)-2,2,2-trifluoroethanolSCHEMBL9942469VXBVBIPROLZSHF-UHFFFAOYSA-NEN300-8831569
Database identifiers
- CAS
1382851-48-0- PubChem CID
- 67976752
- EC Number
- 859-217-1
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- 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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+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.
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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