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ChemicalBook--->CAS DataBase List--->13906-09-7

13906-09-7

13906-09-7 Structure

13906-09-7 Structure
IdentificationMore
[Name]

2-MERCAPTO-4(3H)-QUINAZOLINONE
[CAS]

13906-09-7
[Synonyms]

2-MERCAPTO-4(3H)-QUINAZOLINONE
2-MERCAPTOQUINAZOLIN-4(3H)-ONE
2-MERCAPTOQUINAZOLIN-4-ONE
2-THIO-4(3H)-QUINAZOLINONE
2,3-dihydro-2-thioxoquinazolin-4(1H)-one
1,2,3,4-Tetrahydro-2-thioxoquinazoline-4-one
2,3-Dihydro-2-thioxo-4(1H)-quinazolinone
2-Mercapto-4-quinazolinol
2-Thioxo-1,2-dihydroquinazoline-4(3H)-one
2-Thioxo-4-oxo-1,2,3,4-tetrahydroquinazoline
[EINECS(EC#)]

237-676-3
[Molecular Formula]

C8H6N2OS
[MDL Number]

MFCD00006885
[Molecular Weight]

178.21
[MOL File]

13906-09-7.mol
Chemical PropertiesBack Directory
[Melting point ]

>300 °C (lit.)
[density ]

1.46±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

powder to crystal
[pka]

9.49±0.20(Predicted)
[color ]

White to Almost white
[CAS DataBase Reference]

13906-09-7(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

2934.99.4400
Hazard InformationBack Directory
[Uses]

2-Mercapto-4(3H)-quinazolinone was employed as a modifier for the carbon paste electrode, for voltammetric determination of mercury. It was used in the synthesis of 4-quinazolinone derivatives, inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase.
[General Description]

The FTIR and FT-Raman spectra of 2-mercapto-4(3H) quinazolinone has been studied. Alkylation of 2-mercapto-4(3H)-quinazolinone has been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

2-MERCAPTO-4(3H)-QUINAZOLINONE(13906-09-7)MS
2-MERCAPTO-4(3H)-QUINAZOLINONE(13906-09-7)1HNMR
2-MERCAPTO-4(3H)-QUINAZOLINONE(13906-09-7)13CNMR
2-MERCAPTO-4(3H)-QUINAZOLINONE(13906-09-7)IR1
2-MERCAPTO-4(3H)-QUINAZOLINONE(13906-09-7)IR2
2-MERCAPTO-4(3H)-QUINAZOLINONE(13906-09-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

13906-09-7(sigmaaldrich)
[TCI AMERICA]

2-Mercapto-4(3H)-quinazolinone,>98.0%(LC)(T)(13906-09-7)
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