Basic information
- CAS
31748-45-5- Standard SMILES
Cn1nc2ccccc2c1C#N- InChIKey
ZRCUSWGKZMCOJM-UHFFFAOYSA-N- Molecular formula
- C9H7N3
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 157.06399722
Names & identifiers
- Preferred name
- 2-Methyl-2h-indazole-3-carbonitrile
- IUPAC
- 2-methylindazole-3-carbonitrile
- English name
- 3-Cyano-2-methyl-2H-indazole
- Molecular formula
- C9H7N3
- Molecular weight
- 157.17
Names & synonyms
2-methyl-2h-indazole-3-carbonitrile31748-45-53-CYANO-2-METHYL-2H-INDAZOLE2-methylindazole-3-carbonitrile2H-Indazole-3-carbonitrile,2-methyl-MFCD09753443NSC140855NSC 140855SCHEMBL9389564SCHEMBL15516368DTXSID60301060AKOS006329238
Show more names
2H-Indazole-3-carbonitrile, 2-methyl-
NSC-140855NCGC00664500-01CS-0238057EN300-189487Z1198223355
Database identifiers
- CAS
31748-45-5- PubChem CID
- 284698
- DTXSID
DTXSID60301060
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 98 · 98-100°C
- Boiling point
- 352.6 · 352.6±15.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -3.03 · -3.03±0.30(Predicted)
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses3-Cyano-2-methyl-2H-indazole (cas# 31748-45-5) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers6 total
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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