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90725-68-1

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90725-68-1 Structure

90725-68-1 Structure
IdentificationBack Directory
[Name]

Methyl 2-bromomethyl-5-nitrobenzoate
[CAS]

90725-68-1
[Synonyms]

Lenalidomide Impurity 17
METHYL 2-BROMOMETHYL-5-NITRO-BENZOATE
ethyl 2-(bromomethyl)-5-nitrobenzoate
2-Bromomethyl-5-nitro-benzoic acid methyl ester
Benzoic acid, 2-(bromomethyl)-5-nitro-, methyl ester
[Molecular Formula]

C9H8BrNO4
[MDL Number]

MFCD04114313
[MOL File]

90725-68-1.mol
[Molecular Weight]

274.07
Chemical PropertiesBack Directory
[Melting point ]

76-77 °C
[Boiling point ]

397.3±32.0 °C(Predicted)
[density ]

1.624±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[color ]

Off White
[InChI]

InChI=1S/C9H8BrNO4/c1-15-9(12)8-4-7(11(13)14)3-2-6(8)5-10/h2-4H,5H2,1H3
[InChIKey]

OAEABYNRBPCSQB-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=CC([N+]([O-])=O)=CC=C1CBr
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P260-P280-P301+P330+P331
[HS Code ]

2916310090
Hazard InformationBack Directory
[Uses]

Methyl 2-(Bromomethyl)-5-nitrobenzoate is used in the synthetic preparation of novel and reversible inhibitors for severe acute respiratory syndrome-coronavirus papain-like protease.
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 2-bromomethyl-5-nitrobenzoate(90725-68-1)1HNMR
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