3-bromo-5-(trifluoromethoxy)-1H-indazole
Basic information
- CAS
1346521-23-0- Standard SMILES
FC(F)(F)Oc1ccc2n[nH]c(Br)c2c1- InChIKey
CZYGHZQEJXZFAW-UHFFFAOYSA-N- Molecular formula
- C8H4BrF3N2O
- Average molar mass
- 281.03 g/mol
- Monoisotopic mass
- 279.94591
Names & identifiers
- Preferred name
- 3-bromo-5-(trifluoromethoxy)-1H-indazole
- IUPAC
- 3-bromo-5-(trifluoromethoxy)-2H-indazole
- English name
- 3-Bromo-1H-indazol-5-yl trifluoromethyl ether
- Molecular formula
- C8H4BrF3N2O
- Molecular weight
- 281.03
Names & synonyms
3-bromo-5-(trifluoromethoxy)-1H-indazole1346521-23-03-Bromo-1H-indazol-5-yl trifluoromethyl ether3-bromo-5-(trifluoromethoxy)-2H-indazoleMFCD180745363-Bromo-5-trifluoromethoxy-1H-indazoleDTXSID701275853AKOS026675576PS-7231DB-217969CS-0098320F471818
Show more names
1H-Indazole, 3-bromo-5-(trifluoromethoxy)-
Database identifiers
- CAS
1346521-23-0- PubChem CID
- 71299641
- DTXSID
DTXSID701275853
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 316.4 · 316.4±37.0 °C(Predicted)
- Density
- 1.852 · 1.852±0.06 g/cm3(Predicted)
- pka
- 10.59 · 10.59±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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