Basic information
- CAS
2902-69-4- Standard SMILES
O=C(c1ccccc1)C(Cl)(Cl)Cl- InChIKey
OAMHTTBNEJBIKA-UHFFFAOYSA-N- Molecular formula
- C8H5Cl3O
- Average molar mass
- 223.5 g/mol
- Monoisotopic mass
- 221.94059782
Names & identifiers
- Preferred name
- 2,2,2-Trichloro-1-phenyl-ethanone
- IUPAC
- 2,2,2-trichloro-1-phenylethanone
- English name
- 2,2,2-trichloroacetophenone
- Molecular formula
- C8H5Cl3O
- Molecular weight
- 223.48
Names & synonyms
2902-69-42,2,2-trichloro-1-phenyl-ethanoneDTXSID50281827RefChem:1058940DTXCID602329812,2,2-trichloro-1-phenylethanone2,2,2-TRICHLOROACETOPHENONEEthanone, 2,2,2-trichloro-1-phenyl-NSC23186trichloroacetophenonealpha,alpha,alpha-trichloroacetophenone2,2,2-trichloro-1-phenylethan-1-one
Show more names
Trichloro phenyl ethyl ketone
56778-65-5C6H5COCCl3SCHEMBL132067SCHEMBL10665081SCHEMBL12818904OAMHTTBNEJBIKA-UHFFFAOYSA-NNSC53618MFCD06411277
Database identifiers
- CAS
2902-69-4、56778-65-5- PubChem CID
- 229468
- DTXSID
DTXSID50281827- Nikkaji
- J31.097B
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
- 168
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 320.3 °C · 320.3°C (rough estimate)
- Density
- 1.425 · 1.4250
- refractive index
- 1.551 · 1.5510 (estimate)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers14 total
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
潍坊市前进精细化工有限公司18753684562 · [email protected]
衢州市瑞尔丰化工有限公司0570-3062289 13819008176 15068926975 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
湖北康鑫源顺医药化工有限公司027-51831887 15337167856 · [email protected]
衢州市瑞尔丰化工有限公司
Related reactions
5 records
Compound notes
Loading…