3-Fluoroisoquinoline
Basic information
- CAS
396-29-2- Standard SMILES
Fc1cc2ccccc2cn1- InChIKey
DTWZAGQENHHNKG-UHFFFAOYSA-N- Molecular formula
- C9H6FN
- Average molar mass
- 147.15 g/mol
- Monoisotopic mass
- 147.04842736
Names & identifiers
- Preferred name
- 3-Fluoroisoquinoline
- IUPAC
- 3-fluoroisoquinoline
- English name
- 3-Fluoroisoquinoline
- Molecular formula
- C9H6FN
- Molecular weight
- 147.15
Names & synonyms
3-fluoroisoquinoline396-29-2isoquinoline, 3-fluoro-DTXSID40348832RefChem:279531DTXCID70299904InChI=1/C9H6FN/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6MFCD17170392SCHEMBL1594947SCHEMBL2589453SCHEMBL4026526SCHEMBL31729529
Show more names
AKOS022171592BS-17007CS-0155667D82691F335081
Database identifiers
- CAS
396-29-2- PubChem CID
- 640967
- DTXSID
DTXSID40348832
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 251 °C · 251 °C
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 1.57 · 1.57±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…