Ethanone, 1-(2,5-dichlorophenyl)-

HCID 75587CAS 2476-37-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)c1cc(Cl)ccc1Cl
InChIKey
CYNFEPKQDJHIMV-UHFFFAOYSA-N
Molecular formula
C8H6Cl2O
Average molar mass
189.04 g/mol
Monoisotopic mass
187.97957017

Names & identifiers

Preferred name
Ethanone, 1-(2,5-dichlorophenyl)-
IUPAC
1-(2,5-dichlorophenyl)ethanone
English name
2',5'-Dichloroacetophenone
Molecular formula
C8H6Cl2O
Molecular weight
189.04

Names & synonyms

2',5'-Dichloroacetophenone1-(2,5-Dichlorophenyl)ethanoneEthanone, 1-(2,5-dichlorophenyl)-Acetophenone, 2',5'-dichloro-EINECS 219-605-8NSC 6308DTXSID2062452CYNFEPKQDJHIMV-UHFFFAOYSA-RefChem:592440DTXCID1037143Acetophenone, 2',5'-dichloro-(8CI)219-605-8
Show more names
Ketoconazole Impurity 342',5'-Dichloracetophenon2',5'-Dichloroactophenone2',5'-Dichloroacetophenon2',5'-Dichloroacetophenone>Acetophenone, 2',5'-dichloro-
InChI=1/C8H6Cl2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H32476-37-12,5-Dichloroacetophenone1-(2,5-dichlorophenyl)ethan-1-oneMFCD000006072,5-dichloracetophenon2,5-ChloroacetophenoneEthanone,5-dichlorophenyl)-

Database identifiers

CAS
2476-37-1
PubChem CID
75587
DTXSID
DTXSID2062452
ChEMBL
CHEMBL4636915
UNII
KE8ECJ9WDX
EC Number
219-605-8
Nikkaji
J80.499A

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
11 · 11-13 °C(lit.)
Boiling point
118 °C · 118 °C (12 mmHg)
Density
1.312 g/mL · 1.312 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.5624(lit.)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29147000
risk_code
36/38-36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 1-(2,5-dichlorophenyl)-: ACTIVE

Applications

Uses2′,5′-Dichloroacetophenone was used in the synthesis of 5-chloro-2-(2-thienylthio)acetophenone.

General DescriptionThe standard molar enthalpy of formation of 2′,5′-dichloroacetophenone in the condensed phase was studied.

Upstream & downstream products

Suppliers50 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

24 records
New reaction record

Linked notes

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Ethanone, 1-(2,5-dichlorophenyl)- (HCID 75587)｜Huagongshe