8-amino-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-one
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Basic information
- CAS
1042973-67-0- Standard SMILES
Nc1cc(Cl)cc2c1OCC(=O)N2- InChIKey
LFQDPHSIICCBLE-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2O2
- Average molar mass
- 198.6 g/mol
- Monoisotopic mass
- 198.0196052
Names & identifiers
- Preferred name
- 8-amino-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-one
- IUPAC
- 8-amino-6-chloro-4H-1,4-benzoxazin-3-one
- English name
- 8-Amino-4H-1,4-benzoxazin-3-one
- Molecular formula
- C8H7ClN2O2
- Molecular weight
- 198.61
Names & synonyms
1042973-67-08-amino-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-oneRefChem:547575872-793-98-Amino-6-chloro-4H-benzo[1,4]oxazin-3-one8-amino-6-chloro-4H-1,4-benzoxazin-3-one8-amino-6-chloro-2H-benzo[b][1,4]oxazin-3(4H)-oneMFCD11226537SCHEMBL3174255LFQDPHSIICCBLE-UHFFFAOYSA-NSRB97367AKOS006309869
Show more names
2H-1,4-Benzoxazin-3(4H)-one, 8-amino-6-chloro-
BS-29982SY198141DB-059121CS-0212247EN300-212187F83048F638729Z1198320211
Database identifiers
- CAS
1042973-67-0- PubChem CID
- 37859623
- EC Number
- 872-793-9
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 434.9 · 434.9±45.0 °C(Predicted)
- Density
- 1.481 · 1.481±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 11.52 · 11.52±0.20(Predicted)
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses8-Amino-6-chloro-4h-benzo[1,4]oxazin-3-one could be synthesized by selective transfer hydrogenation of functionalised nitroarene using cobalt oxide based nanocatalyst, and formic acid as a hydrogen source to yield aniline.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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