3-Chloro-5-fluoro-6-methoxyisoquinoline
Basic information
- CAS
2137640-44-7- Standard SMILES
COc1ccc2cnc(Cl)cc2c1F- InChIKey
SXRDFMBNIWFAGN-UHFFFAOYSA-N- Molecular formula
- C10H7ClFNO
- Average molar mass
- 211.62 g/mol
- Monoisotopic mass
- 211.0200197
Names & identifiers
- Preferred name
- 3-Chloro-5-fluoro-6-methoxyisoquinoline
- IUPAC
- 3-chloro-5-fluoro-6-methoxyisoquinoline
Names & synonyms
3-Chloro-5-fluoro-6-methoxyisoquinoline2137640-44-7RefChem:500153837-585-4AT27653EN300-645065
Database identifiers
- CAS
2137640-44-7- PubChem CID
- 137948992
- EC Number
- 837-585-4
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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