1H-Indazole-3,6-diamine

HCID 53415366CAS 871709-90-9

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc2c(N)n[nH]c2c1
InChIKey: FANSCRRHEDYXIH-UHFFFAOYSA-N
Molecular formula: C7H8N4
Average molar mass: 148.17 g/mol
Monoisotopic mass: 148.07489627

Names & identifiers

Preferred name: 1H-Indazole-3,6-diamine
IUPAC: 1H-indazole-3,6-diamine
English name: 1H-indazole-3,6-diaMine
Molecular formula: C7H8N4
Molecular weight: 148.17

Names & synonyms

1H-INDAZOLE-3,6-DIAMINE871709-90-9DTXSID80697053RefChem:238389DTXCID90647802863-365-21H-Indazol-3,6-diamine3,6-diaminoindazoleSCHEMBL9220696-amino-1H-indazol-3-ylamineFANSCRRHEDYXIH-UHFFFAOYSA-NCS-B1155

Show more names

AKOS006361557DB-058147EN300-98459Z1350606408

Database identifiers

CAS: 871709-90-9
PubChem CID: 53415366
DTXSID: DTXSID80697053
EC Number: 863-365-2

Properties

Computed structural properties

XLogP: 0.5
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

Boiling point: 483.8 · 483.8±25.0 °C(Predicted)
Density: 1.486 · 1.486±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 16.5 · 16.50±0.40(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H335-H315-H302
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, 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%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H318-H335-H315-H302
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310