6-bromo-5-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine
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Basic information
- CAS
1154740-67-6- Standard SMILES
Clc1c(Br)ccc2c1NCCO2- InChIKey
OGTVWQTXPBZUTD-UHFFFAOYSA-N- Molecular formula
- C8H7BrClNO
- Average molar mass
- 248.5 g/mol
Names & identifiers
- Preferred name
- 6-bromo-5-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine
- IUPAC
- 6-bromo-5-chloro-3,4-dihydro-2H-1,4-benzoxazine
- English name
- 6-bromo-5-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine
- Molecular formula
- C8H7BrClNO
- Molecular weight
- 248.5
Names & synonyms
1154740-67-66-bromo-5-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine6-bromo-5-chloro-3,4-dihydro-2H-1,4-benzoxazineMFCD24387197SCHEMBL10159205AS-79303CS-04412766-Bromo-5-chloro-3,4-dihydro-2H-benzo[1,4]oxazineSY323096F4739642H-1,4-Benzoxazine, 6-bromo-5-chloro-3,4-dihydro-6-bromo-5-chloro-3,4-dihydro-2H-1,4-benzoxazine - [B81470]
Database identifiers
- CAS
1154740-67-6
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- 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
- 169
Physicochemical properties
- Boiling point
- 327.4 · 327.4±42.0 °C(Predicted)
- Density
- 1.64 · 1.640±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 1.82 · 1.82±0.20(Predicted)
- Appearance
- Light yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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