Basic information
- CAS
1116339-53-7- Standard SMILES
O=C1CC=Nc2ccc(Br)cc21- InChIKey
ZLRZHWUEWCVYHG-UHFFFAOYSA-N- Molecular formula
- C9H6BrNO
- Average molar mass
- 224.05 g/mol
- Monoisotopic mass
- 222.96328
Names & identifiers
- Preferred name
- 6-Bromoquinolin-4(3H)-one
- IUPAC
- 6-bromo-3H-quinolin-4-one
- English name
- 6-bromoquinolin-4(3H)-one
- Molecular formula
- C9H6BrNO
- Molecular weight
- 224.05
Names & synonyms
6-Bromoquinolin-4(3H)-one1116339-53-7SCHEMBL19160462MFCD10574969AKOS024302409DB-369231F813904(3H)-Quinolinone, 6-bromo-6-Bromoquinolin-4(3H)-one ,97%
Database identifiers
- CAS
1116339-53-7- PubChem CID
- 53487077
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 380 · 380.0±42.0 °C(Predicted)
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- pka
- 2.14 · 2.14±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- HS Code
- 29334900 · 29334900
Safety & regulation
Safety data
- hs_code
- 29334900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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