5,6-Dinitro-1H-indazole

HCID 96063CAS 59601-91-1
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1cc2cn[nH]c2cc1[N+](=O)[O-]
InChIKey
TXKLPRHOQGGDQY-UHFFFAOYSA-N
Molecular formula
C7H4N4O4
Average molar mass
208.13 g/mol
Monoisotopic mass
208.02325461

Names & identifiers

Preferred name
5,6-Dinitro-1H-indazole
IUPAC
5,6-dinitro-1H-indazole
English name
5,6-dinitro-1H-indazole
Molecular formula
C7H4N4O4
Molecular weight
208.13

Names & synonyms

5,6-Dinitro-1H-indazole59601-91-1EINECS 261-823-0DTXSID80208284NSC 49913RefChem:101214DTXCID00130775261-823-05,6-dinitroindazole7SQR4L6L95MFCD00022786NSC-49913
Show more names
1H-Indazole,5,6-dinitro-
5,6-Dinitro-1H-indazole; NSC 49913;NSC49913UNII-7SQR4L6L951H-Indazole, 5,6-dinitro-SCHEMBL11680975AKOS030239917SY493724DB-317024

Database identifiers

CAS
59601-91-1
PubChem CID
96063
DTXSID
DTXSID80208284
UNII
7SQR4L6L95
EC Number
261-823-0
Nikkaji
J298.190D

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
120 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
15

Physicochemical properties

Melting point
234 · 234-235°C
Boiling point
506.4 · 506.4±30.0 °C(Predicted)
Density
1.752 · 1.752±0.06 g/cm3(Predicted)
storage temp.
Refrigerator
solubility
Acetone, DMSO (Slightly), Ethyl Acetate
form
Solid

Chemistry & industry

Applications

Uses5,6-Dinitroindazole (cas# 59601-91-1) is a compound useful in organic synthesis.

Upstream & downstream products

Upstream raw materials

Suppliers9 total

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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