ChemicalBook--->CAS DataBase List--->78754-94-6

78754-94-6

78754-94-6 Structure

78754-94-6 Structure
IdentificationBack Directory
[Name]

3-CARBOXYMETHYL-QUINAZOLINE-2,4-DIONE
[CAS]

78754-94-6
[Synonyms]

BB_SC-3321
AKOS BC-0212
RARECHEM EM WB 0254
3-CARBOXYMETHYL-QUINAZOLINE-2,4-DIONE
2-(2,4-dioxo-1H-quinazolin-3-yl)acetic acid
2-(2,4-diketo-1H-quinazolin-3-yl)acetic acid
2-(2,4-dioxo-1H-quinazolin-3-yl)ethanoic acid
3-Carboxymethyl-quinazoline-2,4-dione≥ 99% (HPLC)
1,4-dihydro-2,4-dioxo-3(2H)-Quinazolineacetic acid
3(2H)-Quinazolineacetic acid, 1,4-dihydro-2,4-dioxo-
(2,4-Dioxo-1,4-dihydro-2H-quinazolin-3-yl)-acetic acid
2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetic acid
2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)acetic acid
2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetic acid
[Molecular Formula]

C10H8N2O4
[MDL Number]

MFCD01074686
[MOL File]

78754-94-6.mol
[Molecular Weight]

220.18
Chemical PropertiesBack Directory
[Melting point ]

296 °C(Solv: water (7732-18-5))
[density ]

1.482±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -15°C
[form ]

solid
[pka]

3.61±0.10(Predicted)
[InChI]

1S/C10H8N2O4/c13-8(14)5-12-9(15)6-3-1-2-4-7(6)11-10(12)16/h1-4H,5H2,(H,11,16)(H,13,14)
[InChIKey]

RQQGYSJFFRKGNY-UHFFFAOYSA-N
[SMILES]

OC(=O)CN1C(=O)Nc2ccccc2C1=O
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P261-P280-P305+P351+P338-P304+P340
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[HS Code ]

29334900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

White powder
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