7-Methyl-1H-indazole
Basic information
- CAS
3176-66-7- Standard SMILES
Cc1cccc2cn[nH]c12- InChIKey
RLAZPAQEVQDPHR-UHFFFAOYSA-N- Molecular formula
- C8H8N2
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.06874826
Names & identifiers
- Preferred name
- 7-Methyl-1H-indazole
- IUPAC
- 7-methyl-1H-indazole
- English name
- 7-METHYL (1H)INDAZOLE
- Molecular formula
- C8H8N2
- Molecular weight
- 132.16
Names & synonyms
7-methyl-1H-indazole3176-66-7DTXSID50356241RefChem:546779DTXCID60307300963-307-71H-Indazole, 7-methyl-MFCD05663434MLS000660438SCHEMBL1911926HMS2594I08AKOS000265707
Show more names
7-Methylindazole7-Methyl-1H-indazol7-METHYL (1H)INDAZOLE7-methyl-1H-indazole(SALTDATA: FREE)
CS-W022552MB03490AC-29536DS-10592SMR000309957SY035243RLAZPAM20050356
Database identifiers
- CAS
3176-66-7- PubChem CID
- 820797
- DTXSID
DTXSID50356241- ChEMBL
CHEMBL1501867- EC Number
- 963-307-7
- Nikkaji
- J2.173.158G
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 158 °C · 158 °C
- Boiling point
- 285.1 · 285.1±9.0 °C(Predicted)
- Density
- 1.186 · 1.186±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder
- pka
- 14.39 · 14.39±0.40(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H8N2/c1-6-3-2-4-7-5-9-10-8(6)7/h2-5H,1H3,(H,9,10)
- InChIKey
- RLAZPAQEVQDPHR-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2C)C=N1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
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
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
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 information
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Safety data
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses7-Methyl-1H-indazole, can be used for the synthesis of 2-[(Heteroaryl)methyl]imidazolines, having activities at α1- and α2-adrenoceptors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
1 records
Compound notes
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