Ethanone, 1-(3,4-dichlorophenyl)-

HCID 75841CAS 2642-63-9
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)c1ccc(Cl)c(Cl)c1
InChIKey
WBPAOUHWPONFEQ-UHFFFAOYSA-N
Molecular formula
C8H6Cl2O
Average molar mass
189.04 g/mol
Monoisotopic mass
187.97957017

Names & identifiers

Preferred name
Ethanone, 1-(3,4-dichlorophenyl)-
IUPAC
1-(3,4-dichlorophenyl)ethanone
English name
3',4'-DICHLOROACETOPHENONE
Molecular formula
C8H6Cl2O
Molecular weight
189.04

Names & synonyms

2642-63-93',4'-DichloroacetophenoneEthanone, 1-(3,4-dichlorophenyl)-1-(3,4-Dichlorophenyl)ethan-1-oneAcetophenone, 3',4'-dichloro-EINECS 220-146-0NSC 403673AI3-00479DTXSID8062571RefChem:592459DTXCID7037505Acetophenone, 3',4'-dichloro-(8CI)
Show more names
AKOS BBS-000032303',4'-Dichlorohypnone3,4-Dicloroacetophenone1-(3,4-dichlorophenyl)-ethanon
220-146-0InChI=1/C8H6Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H1-(3,4-Dichlorophenyl)ethanone3,4-DichloroacetophenoneMFCD000005531-acetyl-3,4-dichlorobenzene3.4-dichloroacetophenone3,4-dichloro-acetophenone

Database identifiers

CAS
2642-63-9
PubChem CID
75841
DTXSID
DTXSID8062571
ChEMBL
CHEMBL4640796
EC Number
220-146-0
Nikkaji
J80.534C

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
72 · 72-74 °C(lit.)
Boiling point
135 °C12 · 135 °C12 mm Hg(lit.)
Density
1.2979 · 1.2979 (rough estimate)
refractive index
1.5595 · 1.5595 (estimate)
Flash point
134 · 134-135mm°C/12mm
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (94.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 36 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (94.4%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
hs_code
29147000
risk_code
22-36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 1-(3,4-dichlorophenyl)-: INACTIVE

Applications

Uses3'',4''-Dichloroacetophenone (cas# 2642-63-9) is a compound useful in organic synthesis.

Uses3′,4′-Dichloroacetophenone (3,4-Dichloroacetophenone) was used in the synthesis of substituted aryl aminothiazoles.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

38 records
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Linked notes

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