5-Bromo-4-methyl-1H-indazole
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Basic information
- CAS
1082041-34-6- Standard SMILES
Cc1c(Br)ccc2[nH]ncc12- InChIKey
QLQQQEUHPBMUCF-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2
- Average molar mass
- 211.06 g/mol
- Monoisotopic mass
- 209.97926032
Names & identifiers
- Preferred name
- 5-Bromo-4-methyl-1H-indazole
- IUPAC
- 5-bromo-4-methyl-1H-indazole
- English name
- 5-Bromo-4-methyl-1H-indazole
- Molecular formula
- C8H7BrN2
- Molecular weight
- 211.06
Names & synonyms
5-bromo-4-methyl-1H-indazole1082041-34-6DTXSID80657117RefChem:102175DTXCID10607867813-101-7MFCD110078425-Bromo-4-methyLSCHEMBL7675061H-Indazole,5-broMo-4-Methyl-QLQQQEUHPBMUCF-UHFFFAOYSA-NCS-D0835
Show more names
AKOS005258418AKOS015842242FS-3256PB16301AC-29526SY014185DB-010117EN300-257011
Database identifiers
- CAS
1082041-34-6- PubChem CID
- 44119232
- DTXSID
DTXSID80657117- EC Number
- 813-101-7
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 344.6 · 344.6±22.0 °C(Predicted)
- Density
- 1.654 · 1.654±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.21 · 13.21±0.40(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- 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
Danger
H301 (40%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (40%)
Safety data
- hs_code
- 2933998090
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Related reactions
7 records
Compound notes
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