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8-bromo-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

HCID 70655165
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Basic information

CAS
1396777-41-5
Standard SMILES
O=C1NCCOc2cc(Br)ccc21
InChIKey
OQXPXEVRPQEGOM-UHFFFAOYSA-N
Molecular formula
C9H8BrNO2
Average molar mass
242.07 g/mol

Names & identifiers

Preferred name
8-bromo-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one
English name
8-bromo-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one
Molecular formula
C9H8BrNO2
Molecular weight
242.07

Names & synonyms

8-bromo-3,4-dihydro-2H-1,4-benzoxazepin-5-one8-Bromo-3,4-dihydro-1,4-benzoxazepin-5(2H)-one1,4-Benzoxazepin-5(2H)-one, 8-bromo-3,4-dihydro-8-BROMO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-5-ONE8-bromo-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one8-bromo-3,4-dihydro-2H-1,4-benzoxazepin-5-one - [B82730]8-bromo-3, 4-dihydrobenzo [F][1,4] oxazepine-5 (2H) -ketone

Database identifiers

CAS
1396777-41-5
PubChem CID
70655165
EC Number
828-211-0
Nikkaji
J590.628H

Properties

Physicochemical properties

Boiling point
464.1 · 464.1±45.0 °C(Predicted)
Density
1.574 · 1.574±0.06 g/cm3(Predicted)
storage temp.
Store at room temperature
pka
13.48 · 13.48±0.20(Predicted)
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H319-H335-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.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H319-H335-H315
Precautionary statements
P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Related reactions

2 records
New reaction record
HRID 1113208 reaction equation
HRID 1113208As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2091595 reaction equation
HRID 2091595As productuspto-grants-2013_05

Compound notes

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