Basic information
- CAS
31748-44-4- Standard SMILES
Cn1nc(C#N)c2ccccc21- InChIKey
XXPCFXLOLXYNRI-UHFFFAOYSA-N- Molecular formula
- C9H7N3
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 157.06399722
Names & identifiers
- Preferred name
- 1-Methyl-1h-indazole-3-carbonitrile
- IUPAC
- 1-methylindazole-3-carbonitrile
- English name
- 1-METHYL-1H-INDAZOLE-3-CARBONITRILE
- Molecular formula
- C9H7N3
- Molecular weight
- 157.17
Names & synonyms
1-methyl-1h-indazole-3-carbonitrile31748-44-41-methylindazole-3-carbonitrileMFCD09971307NSC1408573-Cyano-1-methyl-1H-indazoleDTXSID20301061AKOS006312588NSC-140857P10879Z1198266889SCHEMBL1777889
Show more names
1H-Indazole-3-carbonitrile, 1-methyl-1-methylindazole-3-carbonitrile - [M23015]1-methyl-1H-indazole-3-carbonitrile(SALTDATA: FREE)
SCHEMBL15515202SCHEMBL15515995SCHEMBL29794152XH1109BS-25258SY324431DB-354466CS-0183700
Database identifiers
- CAS
31748-44-4- PubChem CID
- 284700
- DTXSID
DTXSID20301061
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
- Boiling point
- 321.1 · 321.1±15.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -2.16 · -2.16±0.50(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety data
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933998090
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Chemistry & industry
Suppliers18 total
Aladdin Scientific[email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
常州琦诺生物科技有限公司0519-0519-83812535 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
武汉研哲科技有限公司15527250409 · [email protected]
湖州澄博生物科技有限公司13626726938
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
扬州长华生物科技有限公司15189846850 13815846020
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Related reactions
4 records
Compound notes
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