2,3-DIHYDRO-6-ISOTHIOCYANATO-1,4-PHTHALAZINEDIONE

Basic Information

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CAS Number

107807-39-6

Molecular Formula

C9H5N3O2S

Molecular Weight

219.22 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

Melting Point

41 °C

SMILES

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C1=CC2=C(C=C1N=C=S)C(=O)NNC2=O

InChI

InChI=1S/C9H5N3O2S/c13-8-6-2-1-5(10-4-15)3-7(6)9(14)12-11-8/h1-3H,(H,11,13)(H,12,14)

InChIKey

VRQLFLNVVWYSTJ-UHFFFAOYSA-N

LogP

0.9506999999999997

Topological Polar Surface Area

78.08 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

351

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

6-isothiocyanato-2,3-dihydrophthalazine-1,4-dione
A801759
TD8097
SCHEMBL19329315
D2339
4-Isoluminol Isothiocyanate
FT-0609653
2,3-Dihydro-6-isothiocyanato-1,4-phthalazinedione
107807-39-6
DTXSID80659893
4-Isothiocyanatophthalhydrazide
6-isothiocyanato-1,2,3,4-tetrahydrophthalazine-1,4-dione
1(2H)-Phthalazinone,4-hydroxy-6-isothiocyanato-
2,3-Dihydro-6-isothiocyanato-1,4-phthalazinedione [HPLC Labeling Reagent for Chemiluminescent]
Isoluminol isothiocyanate
Dihydroisothiocyanatophtalazinedione
[HPLC Labeling Reagent for CheMiluMinescent]
2,3-Dihydro-6-isothiocyanato-1,4-phtalazinedione
2,3-Dihydro-6-isothiocyanato-1,4-phthalazinedione 1,4-Phthalazinedione,2,3-dihydro-6-isothiocyanato-(9CI)
4-Isoluminol Isothiocyanate 4-Isothiocyanatophthalhydrazide

MDL Number

MFCD00191641

Customs Code

2933990090

FAQ

What is 2,3-Dihydro-6-isothiocyanato-1,4-phthalazinedione (CAS: 107807-39-6)?

2,3-Dihydro-6-isothiocyanato-1,4-phthalazinedione (CAS: 107807-39-6) is a compound with a unique chemical structure. It is a solid, crystalline material with a molecular formula of C10H6N4S. This compound is known for its stability and reactivity in various applications.

What are the main uses of 2,3-Dihydro-6-isothiocyanato-1,4-phthalazinedione (CAS: 107807-39-6)?

2,3-Dihydro-6-isothiocyanato-1,4-phthalazinedione (CAS: 107807-39-6) is primarily used in the pharmaceutical industry as a chemical intermediate for producing drugs. It also finds applications in the synthesis of dyes and pigments, and in research as a reagent for certain chemical reactions.

Is 2,3-Dihydro-6-isothiocyanato-1,4-phthalazinedione (CAS: 107807-39-6) safe?

2,3-Dihydro-6-isothiocyanato-1,4-phthalazinedione (CAS: 107807-39-6) is generally safe when handled with appropriate precautions. However, it is important to follow safety guidelines, including proper ventilation and protective clothing, to avoid inhalation and skin contact. Always consult safety data sheets (SDS) for detailed information.

How should 2,3-Dihydro-6-isothiocyanato-1,4-phthalazinedione (CAS: 107807-39-6) be stored?

2,3-Dihydro-6-isothiocyanato-1,4-phthalazinedione (CAS: 107807-39-6) should be stored in a cool, dry place away from direct sunlight and moisture. It is recommended to keep it in a tightly sealed container to prevent degradation. Optimal storage temperature should be below 25°C (77°F) to ensure its stability and safety.