Basic information
- CAS
17847-51-7- Standard SMILES
CC(=O)Oc1ccc(Cl)c(Cl)c1- InChIKey
OSKGYRIYNMZFSJ-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O2
- Average molar mass
- 205.03 g/mol
- Monoisotopic mass
- 203.9744848
Names & identifiers
- Preferred name
- 3,4-Dichlorophenyl acetate
- IUPAC
- (3,4-dichlorophenyl) acetate
- English name
- 3,4-DICHLOROPHENOL ACETATE
- Molecular formula
- C8H6Cl2O2
- Molecular weight
- 205.04
Names & synonyms
3,4-Dichlorophenyl acetate17847-51-73,4-Dichlorophenol acetate(3,4-dichlorophenyl) acetatePhenol, 3,4-dichloro-, acetatePhenol, 3,4-dichloro-, 1-acetate3,4-Dichlorphenol-acetatSCHEMBL4735323,4-Dichlorophenyl acetate #1-acetoxy-3,4-dichlorobenzeneDTXSID60939084MFCD01632288
Show more names
Acetic acid, 3,4-dichlorophenyl esterH66731Q63398452
Database identifiers
- CAS
17847-51-7- PubChem CID
- 519481
- DTXSID
DTXSID60939084- Nikkaji
- J47.478I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 274.5 · 274.5±30.0 °C(Predicted)
- Density
- 1.358 · 1.358±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
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
安徽合诺生物科技有限公司0555-2761852
江苏艾康生物医药研发有限公司17714375163 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
5 records
Compound notes
Loading…