7-bromo-5-nitro-1H-indazole
Basic information
- CAS
685109-10-8- Standard SMILES
O=[N+]([O-])c1cc(Br)c2[nH]ncc2c1- InChIKey
FSHPSRISCPOKKQ-UHFFFAOYSA-N- Molecular formula
- C7H4BrN3O2
- Average molar mass
- 242.03 g/mol
- Monoisotopic mass
- 240.94869
Names & identifiers
- Preferred name
- 7-bromo-5-nitro-1H-indazole
- IUPAC
- 7-bromo-5-nitro-1H-indazole
- English name
- 7-Bromo-5-nitro-1H-indazole
- Molecular formula
- C7H4BrN3O2
- Molecular weight
- 242.03
Names & synonyms
7-bromo-5-nitro-1H-indazole685109-10-8MFCD036176037-bromo-5-nitro-2H-indazole7-Bromo-5-nitroindazoleSCHEMBL760017SCHEMBL27222360DTXSID80363241FSHPSRISCPOKKQ-UHFFFAOYSA-NKCB10910SBB099521AKOS005069585
Show more names
1H-Indazole, 7-bromo-5-nitro-
SB13893s10316SY097433DB-014361CS-0041520EN300-123450F218322F806935
Database identifiers
- CAS
685109-10-8- PubChem CID
- 1481968
- DTXSID
DTXSID80363241- EC Number
- 179-708-8
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 260 · 260-261°C
- Boiling point
- 420.8 · 420.8±25.0 °C(Predicted)
- Density
- 1.965 · 1.965
- storage temp.
- 2 · 2-8°C
- pka
- 9.53 · 9.53±0.40(Predicted)
- Appearance
- Yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- 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.
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
5 records
Compound notes
Loading…