Basic information
- CAS
120258-67-5- Standard SMILES
Brc1cccc2ccnc(Br)c12- InChIKey
IKAVUSHDOXOKHX-UHFFFAOYSA-N- Molecular formula
- C9H5Br2N
- Average molar mass
- 286.95 g/mol
- Monoisotopic mass
- 284.87887
Names & identifiers
- Preferred name
- 1,8-Dibromoisoquinoline
- IUPAC
- 1,8-dibromoisoquinoline
Names & synonyms
1,8-dibromoisoquinoline120258-67-5RefChem:417891873-567-2Isoquinoline, 1,8-dibromo-Isoquinoline,1,8-dibromo-AT43512EN300-398213
Database identifiers
- CAS
120258-67-5- PubChem CID
- 85589101
- EC Number
- 873-567-2
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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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