5,7-Difluoroisoindolin-1-one
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Basic information
- CAS
1445862-22-5- Standard SMILES
O=C1NCc2cc(F)cc(F)c21- InChIKey
VISQWNPAUCDBNF-UHFFFAOYSA-N- Molecular formula
- C8H5F2NO
- Average molar mass
- 169.13 g/mol
Names & identifiers
- Preferred name
- 5,7-Difluoroisoindolin-1-one
- IUPAC
- 5,7-difluoro-2,3-dihydroisoindol-1-one
- English name
- 5,7-Difluoroisoindolin-1-one
- Molecular formula
- C8H5F2NO
- Molecular weight
- 169.13
Names & synonyms
5,7-Difluoroisoindolin-1-one1445862-22-5MFCD290727805,7-difluoro-2,3-dihydroisoindol-1-oneCS-WAA0320SCHEMBL23364331AKOS027441444SB65848CS-17518SY468938D719985,7-Difluoro-2,3-dihydro-1H-isoindol-1-one
Show more names
1H-Isoindol-1-one, 5,7-difluoro-2,3-dihydro-
Database identifiers
- CAS
1445862-22-5
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 401.8 · 401.8±45.0 °C(Predicted)
- Density
- 1.415 · 1.415±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 12.67 · 12.67±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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