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79017-08-6

79017-08-6 Structure

79017-08-6 Structure
IdentificationBack Directory
[Name]

3-(1-NITROETHYL)-2-BENZOFURAN-1(3H)-ONE
[CAS]

79017-08-6
[Synonyms]

3-(1-nitroethyl)-3H-2-benzofuran-1-one
3-(1-Nitroethyl)isobenzofuran-1(3H)-one
3-(1-NITROETHYL)-2-BENZOFURAN-1(3H)-ONE
1(3H)-Isobenzofuranone, 3-(1-nitroethyl)-
(3S)-3-[(1R)-1-nitroethyl]-3H-isobenzofuran-1-one
[Molecular Formula]

C10H9NO4
[MDL Number]

MFCD03001201
[MOL File]

79017-08-6.mol
[Molecular Weight]

207.18
Chemical PropertiesBack Directory
[Melting point ]

99-102°C
[Boiling point ]

398.6±35.0 °C(Predicted)
[density ]

1.341±0.06 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

6.10±0.20(Predicted)
[color ]

Off-White to Beige
[Stability:]

Hygroscopic
[InChI]

1S/C10H9NO4/c1-6(11(13)14)9-7-4-2-3-5-8(7)10(12)15-9/h2-6,9H,1H3
[InChIKey]

FCWYFQGGRBDNRW-UHFFFAOYSA-N
[SMILES]

O=C(O1)C2=CC=CC=C2C1C(C)[N+]([O-])=O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

3-(1-Nitroethyl)-2-benzofuran-1(3H)-one can be used as an antihypertensive.
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