6-Methoxy-3-methyl-2H-indazole
Basic information
- CAS
7746-29-4- Standard SMILES
COc1ccc2c(C)[nH]nc2c1- InChIKey
VDRWFBGSDLRPLK-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931295
Names & identifiers
- Preferred name
- 6-Methoxy-3-methyl-2H-indazole
- IUPAC
- 6-methoxy-3-methyl-2H-indazole
- English name
- 6-Methoxy-3-methyl-1H-indazole
- Molecular formula
- C9H10N2O
- Molecular weight
- 162.19
Names & synonyms
7746-29-46-methoxy-3-methyl-2H-indazoleDTXSID00624422RefChem:308775DTXCID305751756-METHOXY-3-METHYL-1H-INDAZOLEMFCD077807936-Methoxy-3-methylindazoleSCHEMBL11449403-Methyl-6-methoxy 1H-indazole3-Methyl-6-methoxy-1H-indazole6-methoxy-3-methyl-1 H-
Show more names
1H-Indazole, 6-methoxy-3-methyl-
SCHEMBL299198436-methoxy-3-methyl-1 H-indazoleAKOS006287577FS-2764MB04772SY102360DB-075326CS-0153384
Database identifiers
- CAS
7746-29-4- PubChem CID
- 22290992
- DTXSID
DTXSID00624422
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 168 · 168-169 °C
- Boiling point
- 323 · 323.0±22.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.68 · 14.68±0.40(Predicted)
- 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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
Chemistry & industry
Applications
Uses6-Methoxy-3-methyl-1H-indazole is a pharmaceutical intermediate compound that is used in the preparation of EGFR inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…