5-Bromo-2-ethynylbenzaldehyde
Basic information
- CAS
1211515-20-6- Standard SMILES
C#Cc1ccc(Br)cc1C=O- InChIKey
BQXAHXVAXSNNLA-UHFFFAOYSA-N- Molecular formula
- C9H5BrO
- Average molar mass
- 209.04 g/mol
- Monoisotopic mass
- 207.95238
Names & identifiers
- Preferred name
- 5-Bromo-2-ethynylbenzaldehyde
- IUPAC
- 5-bromo-2-ethynylbenzaldehyde
Names & synonyms
5-bromo-2-ethynylbenzaldehyde1211515-20-6RefChem:533183898-109-9BQXAHXVAXSNNLA-UHFFFAOYSA-NEN300-39868152Z5634405018
Database identifiers
- CAS
1211515-20-6- PubChem CID
- 165884841
- EC Number
- 898-109-9
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 191
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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