Basic information
- CAS
62847-50-1- Standard SMILES
Nc1noc(-c2ccccc2)c1Br- InChIKey
SKMYIFOUGLCRPK-UHFFFAOYSA-N- Molecular formula
- C9H7BrN2O
- Average molar mass
- 239.07 g/mol
- Monoisotopic mass
- 237.97418
Names & identifiers
- Preferred name
- 4-Bromo-5-phenyl-1,2-oxazol-3-amine
- IUPAC
- 4-bromo-5-phenyl-1,2-oxazol-3-amine
- English name
- 3-Isoxazolamine, 4-bromo-5-phenyl-
- Molecular formula
- C9H7BrN2O
- Molecular weight
- 239.07
Names & synonyms
4-bromo-5-phenyl-1,2-oxazol-3-amine62847-50-1RefChem:520214970-631-24-bromo-5-phenylisoxazol-3-amineCHEMBL32769684-bromo-5-phenyl-isoxazol-3-amineMCA84750AKOS018112379CS-0106664D76662EN300-189149
Show more names
3-Isoxazolamine, 4-bromo-5-phenyl-
F606313
Database identifiers
- CAS
62847-50-1- PubChem CID
- 12371364
- ChEMBL
CHEMBL3276968- EC Number
- 970-631-2
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 142.5 · 142.5-144.0 °C
- Boiling point
- 388.5 · 388.5±42.0 °C(Predicted)
- Density
- 1.602 · 1.602±0.06 g/cm3(Predicted)
- pka
- -0.04 · -0.04±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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