Basic information
- CAS
1404367-50-5- Standard SMILES
O=C1CCc2cc(Br)cc(Cl)c2N1- InChIKey
XFVBXVQQLCGEAZ-UHFFFAOYSA-N- Molecular formula
- C9H7BrClNO
- Average molar mass
- 260.51 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-8-chloro-3,4-dihydroquinolin-2(1H)-one
- IUPAC
- 6-bromo-8-chloro-3,4-dihydro-1H-quinolin-2-one
- English name
- 6-bromo-8-chloro-3,4-dihydroquinolin-2(1H)-one
- Molecular formula
- C9H7BrClNO
- Molecular weight
- 260.52
Names & synonyms
1404367-50-56-BROMO-8-CHLORO-3,4-DIHYDROQUINOLIN-2(1H)-ONE6-bromo-8-chloro-3,4-dihydro-1H-quinolin-2-one6-Bromo-8-chloro-1,2,3,4-tetrahydroquinolin-2-oneMFCD22690399SCHEMBL13731302SCHEMBL14779528XFVBXVQQLCGEAZ-UHFFFAOYSA-NDA-10588CS-0056223F3054102(1H)-Quinolinone, 6-bromo-8-chloro-3,4-dihydro-
Database identifiers
- CAS
1404367-50-5
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 398.1 · 398.1±42.0 °C(Predicted)
- Density
- 1.66 · 1.660±0.06 g/cm3(Predicted)
- pka
- 12.9 · 12.90±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
济宁横渠生物技术有限公司18118824509 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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