3-Bromo-1H-indazole-4-carbonitrile
Basic information
- CAS
1000341-36-5- Standard SMILES
N#Cc1cccc2n[nH]c(Br)c12- InChIKey
FMBYTIGGQXFBKG-UHFFFAOYSA-N- Molecular formula
- C8H4BrN3
- Average molar mass
- 222.04 g/mol
- Monoisotopic mass
- 220.95886
Names & identifiers
- Preferred name
- 3-Bromo-1H-indazole-4-carbonitrile
- IUPAC
- 3-bromo-2H-indazole-4-carbonitrile
- English name
- 3-Bromo-4-cyano (1H)indazole
- Molecular formula
- C8H4BrN3
- Molecular weight
- 222.04
Names & synonyms
3-Bromo-1H-indazole-4-carbonitrile1000341-36-53-bromo-2H-indazole-4-carbonitrile1H-Indazole-4-carbonitrile, 3-bromo-3-Bromo-4-cyano (1H)indazoleMFCD092632343-Bromo-4-cyano(1h)indazoleSCHEMBL25249427SCHEMBL30548021DTXSID30646713AKOS022172970DS-7204
Show more names
DB-204309CS-0112712F50947F804563
Database identifiers
- CAS
1000341-36-5- PubChem CID
- 24729348
- DTXSID
DTXSID30646713
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- Boiling point
- 425.3 · 425.3±25.0 °C(Predicted)
- Density
- 1.85 · 1.85±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 9.42 · 9.42±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- 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
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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