4-bromo-1H-indazole-6-carbaldehyde
Basic information
- CAS
1168721-41-2- Standard SMILES
O=Cc1cc(Br)c2cn[nH]c2c1- InChIKey
QSCOHIBTEKOLEX-UHFFFAOYSA-N- Molecular formula
- C8H5BrN2O
- Average molar mass
- 225.04 g/mol
- Monoisotopic mass
- 223.95853
Names & identifiers
- Preferred name
- 4-bromo-1H-indazole-6-carbaldehyde
- IUPAC
- 4-bromo-1H-indazole-6-carbaldehyde
- English name
- 4-Bromo-1H-indazole-6-carboxaldehyde
- Molecular formula
- C8H5BrN2O
- Molecular weight
- 225.04
Names & synonyms
4-bromo-1H-indazole-6-carbaldehyde1168721-41-21H-Indazole-6-carboxaldehyde, 4-bromo-MFCD12828175SCHEMBL37099544-Bromo-1H-indazole-6-carboxaldehyde1h-indazole-6-carboxaldehyde,4-bromo-SCHEMBL30837655QSCOHIBTEKOLEX-UHFFFAOYSA-NTWB72141AKOS037644500PB39717
Show more names
AS-53826CS-0051015P17170
Database identifiers
- CAS
1168721-41-2- PubChem CID
- 59635585
- EC Number
- 179-841-1
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 408.4 · 408.4±25.0 °C(Predicted)
- Density
- 1.83 · 1.830±0.06 g/cm3(Predicted)
- pka
- 11.27 · 11.27±0.40(Predicted)
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
3 records
Compound notes
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