2',4'-Dichloroacetophenone
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Basic information
- CAS
2234-16-4- Standard SMILES
CC(=O)c1ccc(Cl)cc1Cl- InChIKey
XMCRWEBERCXJCH-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O
- Average molar mass
- 189.04 g/mol
- Monoisotopic mass
- 187.97957017
Names & identifiers
- Preferred name
- 2',4'-Dichloroacetophenone
- IUPAC
- 1-(2,4-dichlorophenyl)ethanone
- English name
- 2',4'-Dichloroacetophenone
- Molecular formula
- C8H6Cl2O
- Molecular weight
- 189.04
Names & synonyms
2',4'-Dichloroacetophenone2234-16-41-(2,4-Dichlorophenyl)ethan-1-oneEthanone, 1-(2,4-dichlorophenyl)-Acetophenone, 2',4'-dichloro-DTXSID1022182T7F2608H5HNSC-33945RefChem:80106DTXCID602182218-780-81-(2,4-Dichlorophenyl)ethanone
Show more names
AKOS BBS-000032382',4'-Dichloroacetop2, 4-dichlorophenone2,4-DichloracetophenoneKetoconazole Impurity 52,4-Dicloro actophenone2,4-Dichlopoacetophenone4-CHLOROPHENACYL CHLORIDE
2,4-Dichloroacetophenonep-Chloro-2-chloroacetophenoneMFCD000005812',4'-Dichloroacetophenone, 96%BBL027300CS-W0159722-ACETYL-5-CHLOROPHENYL CHLORIDE1-acetyl-2,4-dichlorobenzene
Database identifiers
- CAS
2234-16-4- PubChem CID
- 16693
- DTXSID
DTXSID1022182- UNII
- T7F2608H5H
- EC Number
- 218-780-8
- Nikkaji
- J31.094H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 33 · 33-34 °C(lit.)
- Boiling point
- 140 · 140-150 °C15 mm Hg(lit.)
- Density
- 1.32 · 1.32
- vapor pressure
- 3.2 Pa · 3.2Pa at 25℃
- refractive index
- 20 · n20/D 1.5635(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Methanol (Slightly)
- form
- Solid
- color
- Colorless to yellow-brown
- Water Solubility
- 200 mg/L · ca. 200 mg/L
- BRN
- 637819 · 637819
- InChI
- 1S/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
- InChIKey
- XMCRWEBERCXJCH-UHFFFAOYSA-N
- SMILES
- CC(=O)c1ccc(Cl)cc1Cl
- LogP
- 2.62 at · 2.62 at 20℃
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
This chemical does not meet GHS hazard criteria for 31.9% (37 of 116) of reports.
Danger
H302 (66.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 116 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 19-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5283
Ethanone, 1-(2,4-dichlorophenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (66.4%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29143990
- risk_code
- 22-41-52/53-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-39-61-36
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1-(2,4-dichlorophenyl)-: ACTIVE
Applications
Uses2′,4′-Dichloroacetophenone was used in the synthesis of the Schiff base derivatives.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
32 records
Compound notes
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