N-(3-Nitrophenyl)-3-oxobutanamide

Basic Information

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CAS Number

25233-49-2

Molecular Formula

C10H10N2O4

Molecular Weight

222.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

439.7 °C at 760 mmHg

Density

1.35

Flash Point

439.7 °C at 760 mmHg

Refractive Index

1.601

SMILES

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CC(=O)CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O4/c1-7(13)5-10(14)11-8-3-2-4-9(6-8)12(15)16/h2-4,6H,5H2,1H3,(H,11,14)

InChIKey

KQAQKCOLRNMYFK-UHFFFAOYSA-N

LogP

2.10860

Complexity

298

Synonyms & References

English

N-(3-nitrophenyl)-3-oxobutanamide
DTXSID10304480
25233-49-2
N-(3-nitrophenyl)-3-oxidanylidene-butanamide
NSC165878
SR-01000227236-1
CB12942
N-(3-Nitrophenyl)-3-oxo-butanamide
CBMicro_010055
SCHEMBL8752436
m-nitro-acetylacetanilide
CS-0307492
F8889-8497
NSC-165878
A817722
Acetoacet-m-nitroanilide
N-(3-Nitro-phenyl)-3-oxo-butyramide
SR-01000227236
EN300-01345
AKOS000115295
Z56827154
KQAQKCOLRNMYFK-UHFFFAOYSA-N
BIM-0009955.P001
SMSF0013745
N-(3-Nitro phenyl)-3-oxo-butyramide
N-(3-Nitrophenyl)-3-oxobutanamide
N-(3-nitrophenyl)-3-oxo-Butanamide
N-(3-NITRO-PHENYL)-3-OXO-BUTYRAMIDE
3-Nitro-acetoacetanilid
3'-nitroacetoacetanilide
3'-nitro-acetoacetanilide keto form

MDL Number

MFCD00024361

Customs Code

2924299090

FAQ

What are the physical and chemical properties of N-(3-Nitrophenyl)-3-oxobutanamide (CAS: 25233-49-2)?

N-(3-Nitrophenyl)-3-oxobutanamide (CAS: 25233-49-2) is a white crystalline solid with a molecular weight of approximately 226.09 g/mol. It is poorly soluble in water but soluble in organic solvents such as methanol and acetonitrile. This compound is known for its reactivity, particularly towards nucleophiles, and can undergo reactions such as substitution and elimination.

How is N-(3-Nitrophenyl)-3-oxobutanamide (CAS: 25233-49-2) typically synthesized?

N-(3-Nitrophenyl)-3-oxobutanamide is typically synthesized via the condensation of 3-oxobutanoyl chloride with 3-nitrophenol in the presence of a base like pyridine. The reaction is carried out under anhydrous conditions, and the product is isolated by crystallization from an appropriate solvent. The yield is generally good, around 70-85%.

What industries use N-(3-Nitrophenyl)-3-oxobutanamide (CAS: 25233-49-2)?

N-(3-Nitrophenyl)-3-oxobutanamide (CAS: 25233-49-2) is used in various industries, including pharmaceuticals for its potential as a precursor in drug synthesis, and in polymers for its reactivity in functional polymerization. It is also used in the development of sensors and as a precursor in semiconductor materials for its unique functional groups.

What precautions should be taken when handling N-(3-Nitrophenyl)-3-oxobutanamide (CAS: 25233-49-2)?

When handling N-(3-Nitrophenyl)-3-oxobutanamide (CAS: 25233-49-2), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. This compound should be used in a fume hood due to its volatility and potential for airborne exposure. In case of spill, it should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.