Basic information
- CAS
1446408-51-0- Standard SMILES
OCc1cc(Br)on1- InChIKey
MEVWPRDNLPDOEA-UHFFFAOYSA-N- Molecular formula
- C4H4BrNO2
- Average molar mass
- 177.98 g/mol
- Monoisotopic mass
- 176.94254
Names & identifiers
- Preferred name
- (5-Bromo-1,2-oxazol-3-yl)methanol
- IUPAC
- (5-bromo-1,2-oxazol-3-yl)methanol
- English name
- 3-Isoxazolemethanol, 5-bromo-
- Molecular formula
- C4H4BrNO2
- Molecular weight
- 177.98
Names & synonyms
1446408-51-0(5-bromo-1,2-oxazol-3-yl)methanolRefChem:403808889-254-95-Bromo-3-isoxazolemethanol(5-BROMOISOXAZOL-3-YL)METHANOLSCHEMBL27163532AT37492EN300-70153413-Isoxazolemethanol, 5-bromo-
Database identifiers
- CAS
1446408-51-0- PubChem CID
- 84656263
- EC Number
- 889-254-9
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.4
Physicochemical properties
- Boiling point
- 316.7 · 316.7±27.0 °C(Predicted)
- Density
- 1.864 · 1.864±0.06 g/cm3(Predicted)
- pka
- 12.72 · 12.72±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H302-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H302-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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