Basic information
- CAS
1163703-60-3- Standard SMILES
Oc1ccc(-c2ncc(Br)s2)cc1- InChIKey
OTIWQHTZWDPATF-UHFFFAOYSA-N- Molecular formula
- C9H6BrNOS
- Average molar mass
- 256.12 g/mol
- Monoisotopic mass
- 254.93535
Names & identifiers
- Preferred name
- 4-(5-Bromo-1,3-thiazol-2-yl)phenol
- IUPAC
- 4-(5-bromo-1,3-thiazol-2-yl)phenol
Names & synonyms
4-(5-bromo-1,3-thiazol-2-yl)phenol1163703-60-34-(5-bromothiazol-2-yl)phenolSCHEMBL14157145OTIWQHTZWDPATF-UHFFFAOYSA-NNWB70360AKOS015564841AT38518EN300-258415
Database identifiers
- CAS
1163703-60-3- PubChem CID
- 136257576
- EC Number
- 155-727-7
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
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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