4-Nitrophthalamide

Basic Information

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CAS Number

13138-53-9

Molecular Formula

C8H7N3O4

Molecular Weight

209.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

195 ºC

SMILES

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

InChI

InChI=1S/C8H7N3O4/c9-7(12)5-2-1-4(11(14)15)3-6(5)8(10)13/h1-3H,(H2,9,12)(H2,10,13)

InChIKey

XWCDSCYRIROFIO-UHFFFAOYSA-N

LogP

1.71640

Complexity

299

Synonyms & References

English

1,2-Benzenedicarboxamide, 4-nitro-
SB77420
AKOS002376263
4-Nitrophthaldiamide
AMY28711
4-Nitrophthalamide
SCHEMBL6398309
CCG-54715
NS00024159
DS-2192
SR-01000643795-1
N0647
Maybridge1_003271
AKOS015916644
AKOS025395683
AC-20363
NCIOpen2_006090
CS-0075123
DTXSID9065360
XWCDSCYRIROFIO-UHFFFAOYSA-N
HMS550M15
W-108334
4-Nitrophthalamide, 99%
XWCDSCYRIROFIO-UHFFFAOYSA-
F1679-0143
MFCD00052702
FT-0636809
O11274
NSC 94821
NSC-94821
NSC94821

MDL Number

MFCD00052702

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 4-Nitrophthalamide (CAS: 13138-53-9)?

4-Nitrophthalamide (CAS: 13138-53-9) is a white crystalline solid. Its molecular weight is approximately 238.07 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It has a melting point of about 100-102°C and a boiling point of around 230-235°C. It is a stable compound under normal conditions but should be handled with care due to its reactivity.

How is 4-Nitrophthalamide (CAS: 13138-53-9) typically synthesized?

4-Nitrophthalamide (CAS: 13138-53-9) is typically synthesized by the nitration of phthalamide using nitric acid and sulfuric acid as catalysts. The nitration process usually yields 90-95% purity. The product can be purified by recrystallization from ethanol or acetone. This synthesis method is well-documented in the literature and is known for its high yield and good selectivity.

What industries use 4-Nitrophthalamide (CAS: 13138-53-9)?

4-Nitrophthalamide (CAS: 13138-53-9) finds applications in various industries, including pharmaceuticals, where it serves as an intermediate in the synthesis of other nitrogen-containing compounds. It is also used in the production of dyes and pigments. Additionally, it has potential uses in polymer chemistry and as a reagent in analytical chemistry for developing sensors and semiconductors.

What precautions should be taken when handling 4-Nitrophthalamide (CAS: 13138-53-9)?

When handling 4-Nitrophthalamide (CAS: 13138-53-9), it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbents and handled according to the safety data sheet (SDS). The compound should be stored in a cool, dry place away from heat sources and incompatible materials. Always consult the SDS for detailed handling and storage instructions.