1H-Indazole-5,6-diamine

HCID 81900CAS 7404-68-4

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1cc2cn[nH]c2cc1N
InChIKey: QJPUNSUXMNSPCN-UHFFFAOYSA-N
Molecular formula: C7H8N4
Average molar mass: 148.17 g/mol
Monoisotopic mass: 148.07489626

Names & identifiers

Preferred name: 1H-Indazole-5,6-diamine
IUPAC: 1H-indazole-5,6-diamine
English name: 5,6-Diaminoindazole
Molecular formula: C7H8N4
Molecular weight: 148.17

Names & synonyms

1H-Indazole-5,6-diamine5,6-Diaminoindazole7404-68-460SN334A6BNSC-400122RefChem:1058095231-012-61H-Indazole, 5,6-diamino-MFCD00022787CHEMBL5598182h-indazole-5,6-diamineNSC 400122

Show more names

1H-indazole-5diamino-5,6 indazole5,6-diamino-1h-indazol

EINECS 231-012-6BRN 0005124NSC400122936940-91-91H-Indazole,6-diamino-4-25-00-02968 (Beilstein Handbook Reference)UNII-60SN334A6BSCHEMBL2268059

Database identifiers

CAS: 7404-68-4、936940-91-9
PubChem CID: 81900
DTXSID: DTXSID40224940
ChEMBL: CHEMBL559818
UNII: 60SN334A6B
EC Number: 231-012-6
Nikkaji: J41.010A

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 80.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 282 · 282-284°C
Boiling point: 449.3 · 449.3±25.0 °C(Predicted)
Density: 1.486 · 1.486±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Amber Vial, -20°C Freezer, Under Inert Atmosphere
solubility: DMSO (Slightly), Methanol (Slightly, Sonicated)
form: Solid
pka: 16.12 · 16.12±0.40(Predicted)
color: Off-White to Pale Beige
Stability: Light Sensitive
FDA UNII: 60 SN334A6B · 60SN334A6B
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (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 CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501