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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 13346860Generated: October 23, 2026

5-Methoxy-1H-indazole

1H-Indazole, 5-methoxy- · 5-METHOXYINDAZOLE · 5-Methoxy-1H-indazole · 5-Methoxy-1H-indazole?New · 5-Methoxy-1H-indazole ,97% · 2,4-Imidazolidinedione,5-(3-bromophenyl)-7-methyl-

https://huagongshe.com/en/chemical/13346860

5-Methoxy-1H-indazole molecular structure

Identifiers & Physical Properties

CAS No.94444-96-9
Molecular formulaC8H8N2O
Average molar mass148.16 g/mol
Monoisotopic mass148.06366288 g/mol
SMILESCOc1ccc2[nH]ncc2c1
InChIKeyGZWWDKIVVTXLFL-UHFFFAOYSA-N
PubChem CID13346860
ChEMBLCHEMBL15739
EC No.806-832-8
DTXSIDDTXSID20537722

Chemical & Physical Properties

XLogP2.2
Topological polar surface area37.9
Hydrogen bond donors1
Hydrogen bond acceptors2
Rotatable bonds1
Heavy atoms11
Formal charge0
Complexity140
Melting point167 °C(Solv: benzene (71-43-2))
Boiling point312.5±15.0 °C(Predicted)
Density1.244±0.06 g/cm3(Predicted)
Storage conditionsSealed in dry,Room Temperature
pKa (acidity coefficient)13.61±0.40(Predicted)
AppearanceLight yellow to yellow Solid
InChIInChI=1S/C8H8N2O/c1-11-7-2-3-8-6(4-7)5-9-10-8/h2-5H,1H3,(H,9,10)
InChIKeyGZWWDKIVVTXLFL-UHFFFAOYSA-N
SMILESN1C2=C(C=C(OC)C=C2)C=N1
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P305+P351+P338
Risk statements (R)22-41
Safety statements (S)26-39
Customs code29339900

Safety & Regulations

GHS classificationDangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Customs code29339900
Risk statements (R)22-41
Signal wordWarning
GHS pictogramGHS07
Safety statements (S)26-39
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P305+P351+P338