6-Bromo-1-isopropyl-1H-indazole
Basic information
- CAS
1214900-44-3- Standard SMILES
CC(C)n1ncc2ccc(Br)cc21- InChIKey
BGDRYWNOTNBYDJ-UHFFFAOYSA-N- Molecular formula
- C10H11BrN2
- Average molar mass
- 239.11 g/mol
- Monoisotopic mass
- 238.01056
Names & identifiers
- Preferred name
- 6-Bromo-1-isopropyl-1H-indazole
- IUPAC
- 6-bromo-1-propan-2-ylindazole
- English name
- 1H-Indazole,6-broMo-1-(1-Methylethyl)-
- Molecular formula
- C10H11BrN2
- Molecular weight
- 239.11
Names & synonyms
1214900-44-36-bromo-1-isopropyl-1H-indazoleRefChem:540561810-574-11H-Indazole, 6-bromo-1-(1-methylethyl)-MFCD254602946-bromo-1-propan-2-ylindazole1h-indazole,6-bromo-1-(1-methylethyl)-6-Bromo-1-(1-methylethyl)-1H-indazole6-bromo-1-(propan-2-yl)-1H-indazoleSCHEMBL2144821SCHEMBL30381954
Show more names
6-bromo-1-isopropylindazole - [AC79956]
BGDRYWNOTNBYDJ-UHFFFAOYSA-N6-BROMO-1-ISOPROPYLINDAZOLESY566897DB-107950CS-0457116F18576
Database identifiers
- CAS
1214900-44-3- PubChem CID
- 53680321
- EC Number
- 810-574-1
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 304.5 · 304.5±15.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 0.79 · 0.79±0.30(Predicted)
- form
- crystalline powder
- color
- Off white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280-P260-P271
- 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, P317, 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 statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280-P260-P271
Suppliers
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Related reactions
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Compound notes
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