5-fluoro-2,3-dihydro-1H-isoindol-1-one
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Basic information
- CAS
1260666-80-5- Standard SMILES
O=C1NCc2cc(F)ccc21- InChIKey
NKCDELXKANYEQE-UHFFFAOYSA-N- Molecular formula
- C8H6FNO
- Average molar mass
- 151.14 g/mol
- Monoisotopic mass
- 151.04334198
Names & identifiers
- Preferred name
- 5-fluoro-2,3-dihydro-1H-isoindol-1-one
- IUPAC
- 5-fluoro-2,3-dihydroisoindol-1-one
- English name
- 5-fluoroisoindolin-1-one
- Molecular formula
- C8H6FNO
- Molecular weight
- 151.14
Names & synonyms
1260666-80-55-FLUORO-2,3-DIHYDRO-1H-ISOINDOL-1-ONEDTXSID60599920RefChem:102617DTXCID20550678856-020-25-Fluoroisoindolin-1-one5-FLUORO-2,3-DIHYDROISOINDOL-1-ONE1H-Isoindol-1-one, 5-fluoro-2,3-dihydro-MFCD18204658SCHEMBL164795SCHEMBL30545957
Show more names
1007011,10-Phenanthroline-5,9-dione5-Fluoro-2,3-dihydro-isoindol-1-one
NKCDELXKANYEQE-UHFFFAOYSA-NAKOS024124886AB71859NCGC01453221-01AS-42342SY258649CS-0018905EN300-196406
Database identifiers
- CAS
1260666-80-5- PubChem CID
- 19788097
- DTXSID
DTXSID60599920- EC Number
- 856-020-2
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 398.3 · 398.3±42.0 °C(Predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.83 · 13.83±0.20(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H6FNO/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4H2,(H,10,11)
- InChIKey
- NKCDELXKANYEQE-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=C(F)C=C2)CN1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
4 records
Compound notes
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