5-Bromo-7-methoxyisoquinoline
Basic information
- CAS
1824478-07-0- Standard SMILES
COc1cc(Br)c2ccncc2c1- InChIKey
FBXSAFYZRCURIQ-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO
- Average molar mass
- 238.08 g/mol
- Monoisotopic mass
- 236.97893
Names & identifiers
- Preferred name
- 5-Bromo-7-methoxyisoquinoline
- IUPAC
- 5-bromo-7-methoxyisoquinoline
- English name
- Isoquinoline, 5-bromo-7-methoxy-
- Molecular formula
- C10H8BrNO
- Molecular weight
- 238.08
Names & synonyms
5-BROMO-7-METHOXYISOQUINOLINE1824478-07-0RefChem:533919884-691-15-bromo-7-methoxy-isoquinolineSCHEMBL21917154ZXC47807MFCD22385023SY366673CS-0246244EN300-320464G62237
Show more names
Isoquinoline, 5-bromo-7-methoxy-
F661303
Database identifiers
- CAS
1824478-07-0- PubChem CID
- 124706607
- EC Number
- 884-691-1
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 343.9 · 343.9±22.0 °C(Predicted)
- Density
- 1.516 · 1.516±0.06 g/cm3(Predicted)
- pka
- 4.56 · 4.56±0.16(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Suppliers
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Related reactions
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Compound notes
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