Basic information
- CAS
13061-28-4- Standard SMILES
CC(=O)c1cc(Cl)c(Cl)cc1Cl- InChIKey
OPPQOJRXXODMKR-UHFFFAOYSA-N- Molecular formula
- C8H5Cl3O
- Average molar mass
- 223.5 g/mol
- Monoisotopic mass
- 221.940598
Names & identifiers
- Preferred name
- 1-(2,4,5-Trichlorophenyl)ethanone
- IUPAC
- 1-(2,4,5-trichlorophenyl)ethanone
- English name
- 1-(2,4,5-trichlorophenyl)ethan-1-one
- Molecular formula
- C8H5Cl3O
- Molecular weight
- 223.48
Names & synonyms
1-(2,4,5-trichlorophenyl)ethanone13061-28-41-(2,4,5-Trichlorophenyl)ethan-1-one2,4,5-TrichloroacetophenoneEthanone, 1-(2,4,5-trichlorophenyl)-MFCD092614222',4',5'-TrichloroacetophenoneO9M4U4I96IEINECS 235-954-9UNII-O9M4U4I96IDTXSID2041335SCHEMBL10575131
Show more names
Ceftizoxime Impurity 34Ethanone,1-(2,4,5-trichlorophenyl)-
AKOS022946798DS-8639SY119622CS-0060845NS00024116ACETOPHENONE, 2',4',5'-TRICHLORO-W18042F458310
Database identifiers
- CAS
13061-28-4- PubChem CID
- 83096
- DTXSID
DTXSID2041335- UNII
- O9M4U4I96I
- EC Number
- 235-954-9
- Nikkaji
- J317.791B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- form
- fused solid
- color
- White
- FDA UNII
- 9 M4U4I96I · O9M4U4I96I
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2914790090 · 2914790090
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
- hs_code
- 2914790090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers33 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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