Basic information
- CAS
400878-06-0- Standard SMILES
COc1ccc(C=O)cc1COc1ccc(Br)cc1Cl- InChIKey
WZVQUQHUVYXWTG-UHFFFAOYSA-N- Molecular formula
- C15H12BrClO3
- Average molar mass
- 355.61 g/mol
- Monoisotopic mass
- 353.96583
Names & identifiers
- Preferred name
- 3-[(4-Bromo-2-chlorophenoxy)methyl]-4-methoxybenzaldehyde
- IUPAC
- 3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxybenzaldehyde
- English name
- 3-(4-Bromo-2-chlorophenoxymethyl)-4-methoxybenzaldehyde
- Molecular formula
- C15H12BrClO3
- Molecular weight
- 355.61
Names & synonyms
3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxybenzaldehyde400878-06-03-(4-bromo-2-chlorophenoxymethyl)-4-methoxybenzaldehydeMFCD020908963-((4-Bromo-2-chlorophenoxy)methyl)-4-methoxybenzaldehyde3-(4-Bromo-2-chlorophenoxymethyl)-4-methoxy-benzaldehydeOprea1_178708DTXSID80359760ALBB-001112BBL016004SBB019543STK301801
Show more names
ZINC00650851AKOS B000414ART-CHEM-BB B000414Benzaldehyde, 3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxy-
AKOS000304083VS-05097CS-0215165ST45061673EN300-227646H21257AK-968/41170467Z275128618
Database identifiers
- CAS
400878-06-0- PubChem CID
- 997012
- DTXSID
DTXSID80359760
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 463 · 463.0±45.0 °C(Predicted)
- Density
- 1.494 · 1.494±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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