4-Chloro-2-methylisoquinolin-1(2H)-one
Basic information
- CAS
27187-01-5- Standard SMILES
Cn1cc(Cl)c2ccccc2c1=O- InChIKey
RIKNZRRNPCBUFR-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO
- Average molar mass
- 193.63 g/mol
- Monoisotopic mass
- 193.0294416
Names & identifiers
- Preferred name
- 4-Chloro-2-methylisoquinolin-1(2H)-one
- IUPAC
- 4-chloro-2-methylisoquinolin-1-one
- English name
- 4-Chloro-2-Methylisoquinolin-1(2H)-one
- Molecular formula
- C10H8ClNO
- Molecular weight
- 193.63
Names & synonyms
4-Chloro-2-methylisoquinolin-1(2H)-one27187-01-54-chloro-2-methylisoquinolin-1-oneNSC338043DTXSID30318908NSC-3380434-Chloro-2-methyl-1(2h)-isoquinolinoneDB-1955091(2H)-Isoquinolinone, 4-chloro-2-methyl-4-chloro-2-methyl-1,2-dihydroisoquinolin-1-one
Database identifiers
- CAS
27187-01-5- PubChem CID
- 333907
- DTXSID
DTXSID30318908
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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