6-Methoxy-1H-indazole

HCID 12639202CAS 3522-07-4

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc2cn[nH]c2c1
InChIKey: CYEQSOYROKGJDA-UHFFFAOYSA-N
Molecular formula: C8H8N2O
Average molar mass: 148.16 g/mol
Monoisotopic mass: 148.06366288

Names & identifiers

Preferred name: 6-Methoxy-1H-indazole
IUPAC: 6-methoxy-1H-indazole
English name: 6-Methoxy-1H-indazole
Molecular formula: C8H8N2O
Molecular weight: 148.16

Names & synonyms

6-Methoxy-1H-indazole3522-07-4DTXSID70505279RefChem:308708DTXCID604560896-MethoxyindazoleMFCD092611326-Methoxy-2H-indazole1429306-48-81H-Indazole, 6-methoxy-6-methoxy indazoleCHEMBL15981

Show more names

6-Methoxy-1H-indazoL6-Methyloxy-indazole

SCHEMBL252796SCHEMBL358809SCHEMBL2436305SCHEMBL18003766SCHEMBL20721442SCHEMBL26929423SCHEMBL31052754CYEQSOYROKGJDA-UHFFFAOYSA-N

Database identifiers

CAS: 3522-07-4
PubChem CID: 12639202
DTXSID: DTXSID70505279
ChEMBL: CHEMBL15981
EC Number: 985-722-2
Nikkaji: J1.536.252I

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 37.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 140

Physicochemical properties

Melting point: 97 · 97-99 °C
Boiling point: 312.5 · 312.5±15.0 °C(Predicted)
Density: 1.244 · 1.244±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 14.29 · 14.29±0.40(Predicted)
Appearance: Off-white to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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%)

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses6-Methoxy-1H-indazole is used as a raw material for organic synthesis or as a pharmaceutical intermediate compound. It can be used to prepare other heterocyclic compounds such as 1H-Indazol-6-ol, 6-Methoxy-1H-indazol-5-amine and 6-Methoxy-5-nitro-1H-indazole.