5-Fluoro-2,3-dimethyl-1H-indole
Basic information
- CAS
526-47-6- Standard SMILES
Cc1[nH]c2ccc(F)cc2c1C- InChIKey
PMOQBVDDGHQQEM-UHFFFAOYSA-N- Molecular formula
- C10H10FN
- Average molar mass
- 163.19 g/mol
- Monoisotopic mass
- 163.07972749
Names & identifiers
- Preferred name
- 5-Fluoro-2,3-dimethyl-1H-indole
- IUPAC
- 5-fluoro-2,3-dimethyl-1H-indole
- English name
- 5-Fluoro-2,3-dimethyl-1H-indole
- Molecular formula
- C10H10FN
- Molecular weight
- 163.19
Names & synonyms
5-Fluoro-2,3-dimethyl-1H-indole526-47-6DTXSID10355210RefChem:303111DTXCID403062702,3-DIMETHYL-5-FLUOROINDOLEMFCD011584205-FLUORO-2,3-DIMETHYLINDOLE1H-Indole, 5-fluoro-2,3-dimethyl-BAS 00761131SCHEMBL10067335SCHEMBL30356394
Show more names
ALBB-030055STL426619AKOS000431439AC-5213SB37514DS-17523SY025232DB-005124
Database identifiers
- CAS
526-47-6- PubChem CID
- 794037
- DTXSID
DTXSID10355210- Nikkaji
- J2.695.281F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 60 · 60-61 °C
- Boiling point
- 287.3 · 287.3±35.0 °C(Predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 17.03 · 17.03±0.30(Predicted)
- Appearance
- Light brown to gray Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
- HS Code
- 2933998090 · 2933998090
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
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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