Basic information
- CAS
80661-26-3- Standard SMILES
O=C(Cc1ccc(OCc2ccccc2)c(Cl)c1)OCc1ccccc1- InChIKey
WWDPCWMNWVZRPO-UHFFFAOYSA-N- Molecular formula
- C22H19ClO3
- Average molar mass
- 366.8 g/mol
- Monoisotopic mass
- 366.1022722
Names & identifiers
- Preferred name
- Benzyl [4-(benzyloxy)-3-chlorophenyl]acetate
- IUPAC
- benzyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
- English name
- benzyl 2-(4-(benzyloxy)-3-chlorophenyl)acetate
- Molecular formula
- C22H19ClO3
- Molecular weight
- 366.84
Names & synonyms
80661-26-3AKOS024405120DA-02655benzyl [4-(benzyloxy)-3-chlorophenyl]acetateBENZYL (4-(BENZYLOXY)-3-CHLOROPHENYL)ACETATEbenzyl 2-(4-(benzyloxy)-3-chlorophenyl)acetateBenzeneacetic acid, 3-chloro-4-(phenylmethoxy)-, phenylmethyl ester
Database identifiers
- CAS
80661-26-3- PubChem CID
- 4082402
- EC Number
- 114-679-7
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 497.1 · 497.1±40.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Suppliers2 total
德拜科技有限公司00852-2521 1836
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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