Basic information
- CAS
3176-62-3- Standard SMILES
Cc1[nH]nc2ccccc12- InChIKey
FWOPJXVQGMZKEP-UHFFFAOYSA-N- Molecular formula
- C8H8N2
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.06874826
Names & identifiers
- Preferred name
- 3-methyl-1H-indazole
- IUPAC
- 3-methyl-2H-indazole
- English name
- 3-METHYL-1H-INDAZOLE
- Molecular formula
- C8H8N2
- Molecular weight
- 132.16
Names & synonyms
3-methyl-1H-indazole3176-62-3DTXSID70356243RefChem:503526DTXCID803073023-methyl-2H-indazole1H-Indazole, 3-methyl-50407-19-7MFCD00601361methylindazole3-METHYLINDAZOLE3-methyl indazole
Show more names
Benzenamine,N,N,3,9-tetramethyl-1-Propanone,1-(3,9-dichlorophenyl)-
3-methyl-1H-indazolSCHEMBL130625CHEMBL1762732FWOPJXVQGMZKEP-UHFFFAOYSA-2H-Indazole, 3-methyl-3-Methyl-1H-indaSCHEMBL135237SCHEMBL136316
Database identifiers
- CAS
3176-62-3、50407-19-7- PubChem CID
- 820804
- DTXSID
DTXSID70356243- ChEMBL
CHEMBL1762732- EC Number
- 106-543-0
- Nikkaji
- J1.724.131A、J432.360B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Melting point
- 113 °C · 113°C
- Boiling point
- 234.08 °C · 234.08°C (rough estimate)
- Density
- 1.1083 · 1.1083 (rough estimate)
- refractive index
- 1.6013 · 1.6013 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 14.39 · 14.39±0.40(Predicted)
- Appearance
- Off-white to light brown Solid
- InChI
- InChI=1S/C8H8N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3,(H,9,10)
- InChIKey
- FWOPJXVQGMZKEP-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C(C)=N1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H317-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
- 2933998090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H315-H317-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Description3-Methyl-1H-indazole is a heterocyclic alkyl compound containing nitrogen and three methyl groups. It is used as an intermediate in the synthesis of other compounds. It has been shown to have anti-inflammatory properties in vitro. It also inhibits neutrophil chemotaxis and may be used to treat inflammatory diseases such as trigeminal neuralgia or heart disease. 3-Methyl-1H-indazole has also been shown to inhibit histamine H3 receptor activity, which may account for its effects on eye diseases and bladder cancer.
Uses3-Methyl-1H-indazole is an intermediate compound. It can be used as an organic synthesis reagent for the preparation of 3-methyl-1H-indazol-5-amine and 3-methyl-5-nitro-1H-indazole compounds. In addition, the 3-Methyl-1H-indazole derivatives (1a-1d and 2a-2d) have antimicrobial effects, both having antibacterial activity against Bacillus subtilis and Escherichia coli[1].
Upstream & downstream products
Downstream products
Suppliers5 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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