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39585-32-5

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39585-32-5 Structure

39585-32-5 Structure
IdentificationBack Directory
[Name]

4-NITROHOMOPHTHALIC ACID
[CAS]

39585-32-5
[Synonyms]

4-NITROHOMOPHTHALIC ACID
2-Carboxyl-5-nitrophenylacetic acid
2-(CARBOXYMETHYL)-5-NITROBENZOIC ACID
Benzeneacetic acid, 2-carboxy-5-nitro-
[Molecular Formula]

C9H7NO6
[MDL Number]

MFCD07782180
[MOL File]

39585-32-5.mol
[Molecular Weight]

225.15
Chemical PropertiesBack Directory
[Melting point ]

180-182 °C
[Boiling point ]

497.5±35.0 °C(Predicted)
[density ]

1.594±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

2?+-.0.32(Predicted)
[Appearance]

Off-white to yellow Solid
[InChI]

InChI=1S/C9H7NO6/c11-8(12)4-5-3-6(10(15)16)1-2-7(5)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
[InChIKey]

CKXXWBQEZGLFMV-UHFFFAOYSA-N
[SMILES]

C1(CC(O)=O)=CC([N+]([O-])=O)=CC=C1C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Light yellow powder
Spectrum DetailBack Directory
[Spectrum Detail]

4-NITROHOMOPHTHALIC ACID(39585-32-5)1HNMR
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