5-bromo-1H-indazole-3-carboxamide
Basic information
- CAS
1799421-04-7- Standard SMILES
NC(=O)c1n[nH]c2ccc(Br)cc12- InChIKey
BLPIUDHMDGSMME-UHFFFAOYSA-N- Molecular formula
- C8H6BrN3O
- Average molar mass
- 240.06 g/mol
- Monoisotopic mass
- 238.96942
Names & identifiers
- Preferred name
- 5-bromo-1H-indazole-3-carboxamide
- IUPAC
- 5-bromo-1H-indazole-3-carboxamide
- English name
- 5-broMo-1H-Indazole-3 -CarboxaMide
- Molecular formula
- C8H6BrN3O
- Molecular weight
- 240.06
Names & synonyms
5-Bromo-1H-indazole-3-carboxamide1799421-04-7RefChem:532873962-019-9MFCD269601095-broMo-1H-Indazole-3 -CarboxaMide5Br-INACASCHEMBL17039120ZWC42104AKOS025287250DS-9497HY-W109442
Show more names
1H-Indazole-3-carboxamide, 5-bromo-5-Bromo-1H-indazole-3-carboxylic acid amide
AC-29515PD192513CS-0162966Y10396EN300-6532031Z1173800291
Database identifiers
- CAS
1799421-04-7- PubChem CID
- 91809596
- EC Number
- 962-019-9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 530.2 · 530.2±30.0 °C(Predicted)
- Density
- 1.846 · 1.846±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml
- form
- A crystalline solid
- pka
- 11.17 · 11.17±0.40(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 317 · H317-H318-H334
- Precautionary statements
- 261 · P261-P272-P280-P284-P302+P352+P333+P313+P363-P304+P340+P342+P311-P305+P351+P338+P310-P501
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
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08
- Hazard statements
- H317-H318-H334
- Precautionary statements
- P261-P272-P280-P284-P302+P352+P333+P313+P363-P304+P340+P342+P311-P305+P351+P338+P310-P501
Chemistry & industry
Applications
Uses5Br-INACA is a precursor in the synthesis of synthetic cannabinoids.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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