CAS 1848-41-5 3-methoxy-1H-indazole (HCID 519581)

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Basic information

CAS: 1848-41-5
Standard SMILES: COc1n[nH]c2ccccc12
InChIKey: DHIHZLGSYHTLMS-UHFFFAOYSA-N
Molecular formula: C8H8N2O
Average molar mass: 148.16 g/mol
Monoisotopic mass: 148.06366288

Names & identifiers

Preferred name: 3-methoxy-1H-indazole
IUPAC: 3-methoxy-1H-indazole
English name: 3-methoxy-1H-indazole
Molecular formula: C8H8N2O
Molecular weight: 148.16

Names & synonyms

3-methoxy-1H-indazole1848-41-51H-Indazole, 3-methoxy-3-MethoxyindazoleMFCD16619882methoxyazaindoleINDAZOLE, 3-METHOXY-SCHEMBL1966860SCHEMBL2301862SCHEMBL2302738SCHEMBL2304546SCHEMBL31134461

Show more names

DHIHZLGSYHTLMS-UHFFFAOYSA-DTXSID203340761H-Indazol-3-yl methyl ether #PB34799SY327058DB-112635CS-0054830P11898

Database identifiers

CAS: 1848-41-5
PubChem CID: 519581
DTXSID: DTXSID20334076
Nikkaji: J103.258E

Properties

Computed structural properties

XLogP: 1.9
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

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 104 · 104-105 °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: 13.33 · 13.33±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338