7-Bromo-3-methyl-1,2-dihydroisoquinolin-1-one
Basic information
- CAS
1595959-15-1- Standard SMILES
Cc1cc2ccc(Br)cc2c(=O)[nH]1- InChIKey
GUKPMOGOOWYGPF-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO
- Average molar mass
- 238.08 g/mol
- Monoisotopic mass
- 236.97893
Names & identifiers
- Preferred name
- 7-Bromo-3-methyl-1,2-dihydroisoquinolin-1-one
- IUPAC
- 7-bromo-3-methyl-2H-isoquinolin-1-one
Names & synonyms
1595959-15-17-bromo-3-methyl-1,2-dihydroisoquinolin-1-oneRefChem:545771882-146-21(2H)-Isoquinolinone, 7-bromo-3-methyl-7-bromo-3-methyl-2H-isoquinolin-1-one7-Bromo-3-methylisoquinolin-1(2H)-onestarbld0020188VNC95915EN300-397594
Database identifiers
- CAS
1595959-15-1- PubChem CID
- 84700526
- EC Number
- 882-146-2
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 262
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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