4-Bromo-7-fluoroquinoline
Basic information
- CAS
1070879-29-6- Standard SMILES
Fc1ccc2c(Br)ccnc2c1- InChIKey
HKBQHZQGQMDUMR-UHFFFAOYSA-N- Molecular formula
- C9H5BrFN
- Average molar mass
- 226.04 g/mol
- Monoisotopic mass
- 224.95894
Names & identifiers
- Preferred name
- 4-Bromo-7-fluoroquinoline
- IUPAC
- 4-bromo-7-fluoroquinoline
- English name
- 4-Bromo-7-fluoroquinoline
- Molecular formula
- C9H5BrFN
- Molecular weight
- 226.05
Names & synonyms
4-Bromo-7-fluoroquinoline1070879-29-6MFCD080631904-bromo-7-fluoro-quinolineQuinoline, 4-bromo-7-fluoro-SCHEMBL16010398DTXSID906536804-Bromo-7-fluoroquinoline, 95%AKOS022176183SB71555AS-41956SY101750
Show more names
DB-059543CS-0155706F332455
Database identifiers
- CAS
1070879-29-6- PubChem CID
- 39346124
- DTXSID
DTXSID90653680
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 299.7 · 299.7±20.0 °C(Predicted)
- Density
- 1.647 · 1.647±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- pka
- 2.2 · 2.20±0.27(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C9H5BrFN/c10-8-3-4-12-9-5-6(11)1-2-7(8)9/h1-5H
- InChIKey
- HKBQHZQGQMDUMR-UHFFFAOYSA-N
- SMILES
- BrC1=C2C(C=C(F)C=C2)=NC=C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933499090 · 2933499090
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- hs_code
- 2933499090
- risk_code
- 41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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