Basic information
- CAS
724787-81-9- Standard SMILES
Fc1ccc2ncc(Cl)c(Br)c2c1- InChIKey
SQXCYHQHKQKMGS-UHFFFAOYSA-N- Molecular formula
- C9H4BrClFN
- Average molar mass
- 260.49 g/mol
- Monoisotopic mass
- 258.91997
Names & identifiers
- Preferred name
- 4-Bromo-3-chloro-6-fluoroquinoline
- IUPAC
- 4-bromo-3-chloro-6-fluoroquinoline
- English name
- 4-Bromo-3-chloro-6-fluoroquinoline
- Molecular formula
- C9H4BrClFN
- Molecular weight
- 260.49
Names & synonyms
4-Bromo-3-chloro-6-fluoroquinoline724787-81-94-bromo-3-chloro-6-fluoro-quinolineMFCD13619698SCHEMBL1035213DTXSID10672651SQXCYHQHKQKMGS-UHFFFAOYSA-NDB-340141CS-0360307Quinoline, 4-bromo-3-chloro-6-fluoro-
Database identifiers
- CAS
724787-81-9- PubChem CID
- 45925762
- DTXSID
DTXSID10672651
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 323.1 · 323.1±37.0 °C(Predicted)
- Density
- 1.746 · 1.746±0.06 g/cm3(Predicted)
- pka
- 0.28 · 0.28±0.27(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- HS Code
- 2933499090 · 2933499090
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
- hs_code
- 2933499090
- risk_code
- 41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
BioBlocks Incorporated[email protected]
COMBI-BLOCKS[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
SYNQUEST[email protected]
APOLLO-NMR[email protected]
SIGMAALDRICH—
Related reactions
1 records
Compound notes
Loading…