4-chloro-1H-indazole-5-carbonitrile
Basic information
- CAS
1082041-91-5- Standard SMILES
N#Cc1ccc2[nH]ncc2c1Cl- InChIKey
HKLXPJOGSHCVGX-UHFFFAOYSA-N- Molecular formula
- C8H4ClN3
- Average molar mass
- 177.59 g/mol
- Monoisotopic mass
- 177.0093748
Names & identifiers
- Preferred name
- 4-chloro-1H-indazole-5-carbonitrile
- IUPAC
- 4-chloro-1H-indazole-5-carbonitrile
- English name
- 4-Chloro-5-cyano (1H)indazole
- Molecular formula
- C8H4ClN3
- Molecular weight
- 177.59
Names & synonyms
4-chloro-1H-indazole-5-carbonitrile1082041-91-54-Chloro-5-cyano (1H)indazoleMFCD11007934SCHEMBL13745163DTXSID801292923HTB041914-chloro-2H-indazole-5-carbonitrileAKOS006304177SB305131H-Indazole-5-carbonitrile, 4-chloro-SY021438
Show more names
CS-0131066E81534EN300-4296241F608128
Database identifiers
- CAS
1082041-91-5- PubChem CID
- 53399359
- DTXSID
DTXSID801292923
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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