7-bromo-2-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine
Basic information
- CAS
1245708-34-2- Standard SMILES
CC1CNc2ccc(Br)cc2O1- InChIKey
UOPSIXDWTXOYCJ-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO
- Average molar mass
- 228.09 g/mol
- Monoisotopic mass
- 226.99458
Names & identifiers
- Preferred name
- 7-bromo-2-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine
- IUPAC
- 7-bromo-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
- English name
- 7-bromo-2-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine
- Molecular formula
- C9H10BrNO
- Molecular weight
- 228.09
Names & synonyms
1245708-34-27-bromo-2-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine7-bromo-2-methyl-3,4-dihydro-2H-1,4-benzoxazineMFCD193764917-Bromo-3,4-dihydro-2-methyl-2H-1,4-benzoxazine2H-1,4-Benzoxazine, 7-bromo-3,4-dihydro-2-methyl-SCHEMBL10197579SCHEMBL30046905UOPSIXDWTXOYCJ-UHFFFAOYSA-NDTXSID501244032VZB70834AKOS022470191
Show more names
BS-50490SY217612CS-0188059EN300-309430F471253Z1269181301(R)-7-bromo-2-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine
Database identifiers
- CAS
1245708-34-2- PubChem CID
- 58064652
- DTXSID
DTXSID501244032
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 302.8 · 302.8±42.0 °C(Predicted)
- Density
- 1.429 · 1.429±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 3.69 · 3.69±0.40(Predicted)
- Appearance
- Off-white to light brown Solid
- optical activity
- 0.4 ° · 0.4°(C=0.01g/mI, MEOH, 20°C, 589nm)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P304+P340
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P261-P280-P305+P351+P338-P304+P340
Suppliers
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Related reactions
1 records
Compound notes
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