2-(4-Bromophenyl)propanal
Basic information
- CAS
40460-91-1- Standard SMILES
CC(C=O)c1ccc(Br)cc1- InChIKey
WJTCCULQAHZZRE-UHFFFAOYSA-N- Molecular formula
- C9H9BrO
- Average molar mass
- 213.07 g/mol
- Monoisotopic mass
- 211.98368
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)propanal
- IUPAC
- 2-(4-bromophenyl)propanal
Names & synonyms
2-(4-Bromophenyl)propanal40460-91-1Benzeneacetaldehyde, 4-bromo-a-methyl-SCHEMBL6864362-(4-Bromophenyl)propanal #SCHEMBL27373192WJTCCULQAHZZRE-UHFFFAOYSA-NQBA46091AKOS015150761Benzeneacetaldehyde, 4-bromo-.alpha.-methyl-EN300-266344G28803
Show more names
A1-42494F8884-2416Z1269114153
Database identifiers
- CAS
40460-91-1- PubChem CID
- 569059
- EC Number
- 174-528-6
- Nikkaji
- J487.239H
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 128
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%)
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Related reactions
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Compound notes
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