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53055-05-3

53055-05-3 Structure

53055-05-3 Structure
IdentificationMore
[Name]

3-Methoxy-2-nitrobenzaldehyde
[CAS]

53055-05-3
[Synonyms]

2-NITRO-3-METHOXY BENZALDEHYDE
3-METHOXY-2-NITROBENZALDEHYDE
3-METHOXY-2-NITROBENZALDEHYDE, 97+%
[EINECS(EC#)]

258-332-9
[Molecular Formula]

C8H7NO4
[MDL Number]

MFCD00007135
[Molecular Weight]

181.15
[MOL File]

53055-05-3.mol
Chemical PropertiesBack Directory
[Appearance]

White to beige or yellow crystalline powder
[Melting point ]

97-101 °C (lit.)
[Boiling point ]

344.2±27.0 °C(Predicted)
[density ]

1.322±0.06 g/cm3(Predicted)
[storage temp. ]

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

Crystalline Powder
[color ]

White to beige or yellow
[BRN ]

1959385
[InChI]

1S/C8H7NO4/c1-13-7-4-2-3-6(5-10)8(7)9(11)12/h2-5H,1H3
[InChIKey]

GDTUACILWWLIJF-UHFFFAOYSA-N
[SMILES]

[H]C(=O)c1cccc(OC)c1[N+]([O-])=O
[CAS DataBase Reference]

53055-05-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

29130000
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White to beige or yellow crystalline powder
[Uses]

3-Methoxy-2-nitrobenzaldehyde was used in the synthesis of 8-hydroxyquinazoline, methy-3-methoxyanthranilate and 3-methoxy-2-nitrobenzylidenebisformamide.
[General Description]

3-Methoxy-2-nitrobenzaldehyde undergoes 1,4-diazabicyclo[2.2.2]octane-catalyzed reaction with methyl vinyl ketone (MVK) to afford normal Baylis-Hillman adduct, the MVK dimer and a pair of diastereomeric bis-(MVK)Baylis-Hillman adducts.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methoxy-2-nitrobenzaldehyde(53055-05-3)1HNMR
3-Methoxy-2-nitrobenzaldehyde(53055-05-3)IR
3-Methoxy-2-nitrobenzaldehyde(53055-05-3)FT-IR
3-Methoxy-2-nitrobenzaldehyde(53055-05-3)Raman
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