6-Nitro-2,4(1H,3H)-quinazolinedione

HCID 816982
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Basic information

CAS
32618-85-2
Standard SMILES
O=c1[nH]c(=O)c2cc([N+](=O)[O-])ccc2[nH]1
InChIKey
TWJZVXRMXVNSIE-UHFFFAOYSA-N
Molecular formula
C8H5N3O4
Average molar mass
207.14 g/mol
Monoisotopic mass
207.02800564

Names & identifiers

Preferred name
6-Nitro-2,4(1H,3H)-quinazolinedione
IUPAC
6-nitro-1H-quinazoline-2,4-dione
English name
2,4-Dihydroxy-6-nitroquinazoline
Molecular formula
C8H5N3O4
Molecular weight
207.14

Names & synonyms

6-NITRO-2,4(1H,3H)-QUINAZOLINEDIONERefChem:54407432618-85-26-nitroquinazoline-2,4-diol2,4-Dihydroxy-6-nitroquinazoline6-Nitro-1H-quinazoline-2,4-dione6-nitroquinazoline-2,4(1H,3H)-dione6-NitrobenzoyleneureaMFCD074379152,4(1H,3H)-Quinazolinedione, 6-nitro-CHEMBL39142246-Nitro-2,4-quinazolinediol
Show more names
6-Nitro-2,4-quinazolinedione6-nitro-1,3-dihydroquinazoline-2,4-dioneSCHEMBL3025195TWJZVXRMXVNSIE-UHFFFAOYSA-DTXSID20355721CS-D0571BDBM50207545STL432929

Database identifiers

CAS
32618-85-2
PubChem CID
816982
DTXSID
DTXSID20355721
ChEMBL
CHEMBL3914224
EC Number
109-601-3
Nikkaji
J856.753K

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
15

Physicochemical properties

Melting point
330 · 330-331 °C (decomp)(Solv: acetic acid, 50% (64-19-7))
Density
1.555 · 1.555±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
9.28 · 9.28±0.20(Predicted)
Appearance
Light yellow to yellow Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Dam. 1 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers46 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]

Related reactions

24 records
New reaction record

Compound notes

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