4-((4-Bromophenyl)methoxy)benzaldehyde
Basic information
- CAS
149833-95-4- Standard SMILES
O=Cc1ccc(OCc2ccc(Br)cc2)cc1- InChIKey
HGCGRPJQAXHMMI-UHFFFAOYSA-N- Molecular formula
- C14H11BrO2
- Average molar mass
- 291.14 g/mol
- Monoisotopic mass
- 289.99424
Names & identifiers
- Preferred name
- 4-((4-Bromophenyl)methoxy)benzaldehyde
- IUPAC
- 4-[(4-bromophenyl)methoxy]benzaldehyde
- English name
- 4-(4-Bromobenzyloxy)benzaldehyde
- Molecular formula
- C14H11BrO2
- Molecular weight
- 291.14
Names & synonyms
149833-95-44-[(4-bromophenyl)methoxy]benzaldehydeDTXSID203532474-((4-Bromophenyl)methoxy)benzaldehydeRefChem:286392DTXCID203043104-(4-Bromobenzyloxy)benzaldehyde4-[(4-bromobenzyl)oxy]benzaldehyde4-((4-Bromobenzyl)oxy)benzaldehyde4-[(4-Bromobenzyl)oxy]benzenecarbaldehydeMFCD0209100112P-045
Show more names
ZINC00167684543330_ALDRICH4-(4-Bromobenzyloxy)benzaldehyde 96%Benzaldehyde, 4-[(4-bromophenyl)methoxy]-
ASISCHEM R33256SCHEMBL865744CHEMBL2088930AKOS B014214HGCGRPJQAXHMMI-UHFFFAOYSA-NART-CHEM-BB B014214ALBB-001329BBL016401
Database identifiers
- CAS
149833-95-4- PubChem CID
- 737490
- DTXSID
DTXSID20353247- ChEMBL
CHEMBL2088930
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 88 · 88-92 °C (lit.)
- Boiling point
- 419.3 · 419.3±25.0 °C(Predicted)
- Density
- 1.441 · 1.441±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- Light brown to brown Solid
- InChI
- 1S/C14H11BrO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-9H,10H2
- InChIKey
- HGCGRPJQAXHMMI-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccc(OCc2ccc(Br)cc2)cc1
- CAS DataBase Reference
- 149833 · 149833-95-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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