Basic information
- CAS
72220-51-0- Standard SMILES
O=C(Cl)COc1ccc(OC(F)(F)F)cc1- InChIKey
UCKXXLDQAUINGL-UHFFFAOYSA-N- Molecular formula
- C9H6ClF3O3
- Average molar mass
- 254.59 g/mol
- Monoisotopic mass
- 253.99575639
Names & identifiers
- Preferred name
- 4-(Trifluoromethoxy)phenoxyacetyl chloride
- IUPAC
- 2-[4-(trifluoromethoxy)phenoxy]acetyl chloride
- English name
- 4-(Trifluoromethoxy)phenoxyacetyl chloride
- Molecular formula
- C9H6ClF3O3
- Molecular weight
- 254.59
Names & synonyms
4-(Trifluoromethoxy)phenoxyacetyl chloride72220-51-02-[4-(trifluoromethoxy)phenoxy]acetyl chlorideAcetyl chloride, [4-(trifluoromethoxy)phenoxy]-MFCD02091505[4-(Trifluoromethoxy)phenoxy]acetyl chloride4-(Trifluoromethoxy)phenoxyacetylchlorideSCHEMBL118361DTXSID10380466STR07070SBB101463AKOS028111640
Show more names
BUTTPARK 29\08-64Acetyl chloride, 2-[4-(trifluoromethoxy)phenoxy]-
(4-Trifluoromethoxyphenoxy)-acetyl chloride(4-Trifluoromethoxy-phenoxy)-acetyl chlorideF017465
Database identifiers
- CAS
72220-51-0- PubChem CID
- 2777308
- DTXSID
DTXSID10380466
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 242.1 · 242.1±35.0 °C(Predicted)
- Density
- 1.423 · 1.423±0.06 g/cm3(Predicted)
- form
- liquid
- color
- Colourless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2918999090 · 2918999090
Safety & regulation
Safety data
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
济南利恒生物科技有限公司0531-18763987518 18763987518 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
4 records
Compound notes
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