2-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)ethan-1-one

HCID 21984867CAS 94171-11-6
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIKey
XQXUWZVNQWBASZ-UHFFFAOYSA-N
Molecular formula
C14H9Cl3O
Average molar mass
299.6 g/mol
Monoisotopic mass
297.971898

Names & identifiers

Preferred name
2-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)ethan-1-one
IUPAC
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
English name
2-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
Molecular formula
C14H9Cl3O
Molecular weight
299.58

Names & synonyms

94171-11-62-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)ethan-1-oneDTXSID60621179RefChem:252156DTXCID105719332-(4-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone2-(4-Chlorophenyl)-2',4'-dichloroacetophenoneMFCD18452152Ethanone, 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-SCHEMBL1404500XQXUWZVNQWBASZ-UHFFFAOYSA-NAKOS012800391
Show more names
4-chlorobenzyl 2,4-dichlorophenyl ketonePS-11060SY028143DB-329320F4611162-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-ethanone2-(4-Chlorophenyl)-2 inverted exclamation mark ,4 inverted exclamation mark -dichloroacetophenone

Database identifiers

CAS
94171-11-6
PubChem CID
21984867
DTXSID
DTXSID60621179

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
18

Physicochemical properties

Melting point
65 · 65-66 °C(Solv: cyclohexane (110-82-7))
Boiling point
398.9 · 398.9±32.0 °C(Predicted)
Density
1.377 · 1.377±0.06 g/cm3(Predicted)
Symbol(GHS)
5 · GHS05,GHS07,GHS09
Signal word
Danger
Hazard statements
317 · H317-H318-H411

Safety & regulation

Safety data

hs_code
2914790090
Signal word
Danger
Symbol(GHS)
GHS05,GHS07,GHS09
Hazard statements
H317-H318-H411
Precautionary statements
P260-P273-P280

Chemistry & industry

Upstream & downstream products

Suppliers11 total

西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]

Related reactions

19 records
New reaction record

Linked notes

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