2,4(1H,3H)-Quinazolinedione

Basic Information

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CAS Number

86-96-4

Molecular Formula

C8H6N2O2

Molecular Weight

162.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

354°C

Boiling Point

288.82°C (rough estimate)

Density

1.3264 (rough estimate)

Flash Point

491.9 °C at 760 mmHg

Solubility

ammonium hydroxide: soluble10mg/mL

Refractive Index

1.5770 (estimate)

SMILES

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C1=CC=C2C(=C1)C(=O)NC(=O)N2

InChI

InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)

InChIKey

SDQJTWBNWQABLE-UHFFFAOYSA-N

LogP

0.21640000000000004

Topological Polar Surface Area

65.72 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

227

Safety Information

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GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

(1H,3H)Quinazoline dione-2,4 [French]
FT-0622755
2,4-Dihydroxyquinazoline
EINECS 201-712-6
WLN: T66 BMVMVJ
Z57177786
1,3,4-Tetrahydroquinazoline-2,4-dione
4-hydroxyquinazolone
SMR000439476
Fenazaquin metabolite NN5
2,4-QUINAZOLINEDIOL
BBL025915
Q27252014
(1H,3H)Quinazoline dione-2,4
Urea, benzoylene-
AH-740/03933012
F3173-0012
HY-N7089
MLS000762991
Maybridge1_000647
1H-Quinazoline-2,4-dione
AKOS000120498
18K00A531C
2,4(1H,-3H)-quinazolinedione
MFCD00006699
CS-0008444
BENZOYLENUREA
BB 0305523
Quinazoline-2,4-diol
2.4(1H,3H)-Quinazolinedione
AB00174126-06

MDL Number

MFCD00006699

Customs Code

2933990090

FAQ

What is 2,4(1H,3H)-Quinazolinedione (CAS: 86-96-4)?

2,4(1H,3H)-Quinazolinedione, with the CAS number 86-96-4, is a heterocyclic organic compound containing a quinazoline ring system with two ketone groups at the 2 and 4 positions. It is a white crystalline solid with a high melting point and is commonly used as an intermediate in organic synthesis. Its structure makes it a key molecule in the development of various pharmaceutical compounds.

What are the main uses of 2,4(1H,3H)-Quinazolinedione (CAS: 86-96-4)?

2,4(1H,3H)-Quinazolinedione (CAS: 86-96-4) is widely used in pharmaceutical research as a building block for synthesizing drugs targeting cancer and neurological disorders. It also serves as an industrial chemical in the production of dyes, pesticides, and other organic materials. In research settings, it is valued for its versatility in chemical reactions and its role in developing new materials and compounds.

Is 2,4(1H,3H)-Quinazolinedione (CAS: 86-96-4) safe?

2,4(1H,3H)-Quinazolinedione (CAS: 86-96-4) is generally considered safe when handled properly, but it can be toxic if ingested or inhaled in large amounts. It is important to follow standard safety protocols, such as using protective gloves and goggles, and ensuring proper ventilation. It should be stored in a sealed container away from incompatible substances to maintain safety and prevent accidental exposure.

How should 2,4(1H,3H)-Quinazolinedione (CAS: 86-96-4) be stored?

2,4(1H,3H)-Quinazolinedione (CAS: 86-96-4) should be stored in a cool, dry, and well-ventilated place, away from direct light. It is best kept in a sealed, airtight container to prevent moisture absorption and contamination. Storage should also avoid contact with strong acids or bases to ensure stability and prolong shelf life.