1-(5-Chloro-2-hydroxy-4-methylphenyl)-2-(2,4-dichlorophenyl)ethanone
Basic information
- CAS
720676-78-8- Standard SMILES
Cc1cc(O)c(C(=O)Cc2ccc(Cl)cc2Cl)cc1Cl- InChIKey
WUNHWDCMMVSCDG-UHFFFAOYSA-N- Molecular formula
- C15H11Cl3O2
- Average molar mass
- 329.6 g/mol
- Monoisotopic mass
- 327.982463
Names & identifiers
- Preferred name
- 1-(5-Chloro-2-hydroxy-4-methylphenyl)-2-(2,4-dichlorophenyl)ethanone
- IUPAC
- 1-(5-chloro-2-hydroxy-4-methylphenyl)-2-(2,4-dichlorophenyl)ethanone
- English name
- 5'-Chloro-2(2',4'-dichlorophenyl)-2'-hydroxy-4'-methyl acetophenone
- Molecular formula
- C15H11Cl3O2
- Molecular weight
- 329.61
Names & synonyms
720676-78-8MFCD034120515'-Chloro-2(2', 4'-dichlorophenyl)-2'-hydroxy-4'-methyl acetophenoneC15H11Cl3O21-(5-chloro-2-hydroxy-4-methylphenyl)-2-(2,4-dichlorophenyl)ethanone1-(5-Chloro-2-hydroxy-4-methylphenyl)-2-(2,4-dichlorophenyl)ethan-1-oneST503087451-(5-chloro-2-hydroxy-4-methyl-phenyl)-2-(2,4-dichlorophenyl)ethanone2-(2,4-dichlorophenyl)-1-(5-chloro-2-hydroxy-4-methylphenyl)ethan-1-one5'-Chloro-2(2',4'-dichlorophenyl)-2'-hydroxy-4'-methylacetophenone5'-Chloro-2(2',4'-dichlorophenyl)-2'-hydroxy-4'-methylacetophenone; 98%5'-Chloro-2-(2',4'-dichlorophenyl)-2'-hydroxy-4'-methylacetophenone, AldrichCPR
Show more names
5'-Chloro-2(2',4'-dichlorophenyl)-2'-hydroxy-4'-methyl acetophenone
Database identifiers
- CAS
720676-78-8- PubChem CID
- 689077
- EC Number
- 109-263-7
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 158 · 158-161°C
- form
- solid
- InChI
- 1S/C15H11Cl3O2/c1-8-4-14(19)11(7-12(8)17)15(20)5-9-2-3-10(16)6-13(9)18/h2-4,6-7,19H,5H2,1H3
- InChIKey
- WUNHWDCMMVSCDG-UHFFFAOYSA-N
- SMILES
- Cc1cc(O)c(cc1Cl)C(=O)Cc2ccc(Cl)cc2Cl
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-36-22
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 36/37/38-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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