Basic information
- CAS
328287-40-7- Standard SMILES
COc1cc(Br)cc(CNc2cc(C)on2)c1O- InChIKey
PZUDJWLCHKKDIB-UHFFFAOYSA-N- Molecular formula
- C12H13BrN2O3
- Average molar mass
- 313.15 g/mol
- Monoisotopic mass
- 312.01095
Names & identifiers
- Preferred name
- 4-Bromo-2-methoxy-6-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}phenol
- IUPAC
- 4-bromo-2-methoxy-6-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenol
- English name
- 4-bromo-2-methoxy-6-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}phenol
- Molecular formula
- C12H13BrN2O3
- Molecular weight
- 313.15
Names & synonyms
328287-40-74-bromo-2-methoxy-6-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}phenol4-bromo-6-methoxy-2-{[(5-methylisoxazol-3-yl)amino]methyl}phenol4-bromo-2-methoxy-6-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenolTimTec1_000833HMS1536F19AKOS005106160JS-1707NCGC00175075-01ST012244AA-768/14252035BRD-K34053165-001-01-3
Show more names
Phenol, 4-bromo-2-methoxy-6-[[(5-methyl-3-isoxazolyl)amino]methyl]-
4-bromo-2-methoxy-6-{[(5-methyl-3-isoxazolyl)amino]methyl}phenol4-BROMO-2-METHOXY-6-((5-METHYL-ISOXAZOL-3-YLAMINO)-METHYL)-PHENOL
Database identifiers
- CAS
328287-40-7- PubChem CID
- 720574
- EC Number
- 158-919-9
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 458.4 · 458.4±40.0 °C(Predicted)
- Density
- 1.561 · 1.561±0.06 g/cm3(Predicted)
- pka
- 9.12 · 9.12±0.48(Predicted)
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%)
Chemistry & industry
Suppliers2 total
Key Organics Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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