2',4'-Dichloroacetophenone (HCID 16693)

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 properties

XLogP: 2.7
Topological polar surface area: 17.1 Å²
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℃
CAS DataBase Reference: 2234 · 2234-16-4(CAS DataBase Reference)
FDA UNII: 7 F2608H5H · T7F2608H5H
NIST Chemistry Reference: 1 · Ethanone, 1-(2,4-dichlorophenyl)-(2234-16-4)
EPA Substance Registry System: 2 · 2',4'-Dichloroacetophenone (2234-16-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 280 · P280-P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-41-52/53-36/37/38
Safety Statements: 26 · 26-39-61-36
WGK Germany: 2 · 2
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 29143990 · 29143990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

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 · 2 items

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
Hazard statements: H302-H318
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
Precautionary statements: P280-P305+P351+P338

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

Itraconazole 2,2,2',4'-Tetrachloroacetophenone 1-(2,4-Dichloro-phenyl)-ethylamine 2,2',4'-Trichloroacetophenone 4,4,4-Trifluoro-1-(2,4-dichlorophenyl)-1,3-butanedione (2E)-1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (2E)-1-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-en-1-one 3-(2,4-Dichlorophenyl)pyrazole [2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate 6-chloro-2-(6-chloro-3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one

Suppliers50 total

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]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

Related reactions

32 records

New reaction record

HRID 210406As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 252098As reactantuspto-grants-2011_01

HRID 644470As reactantuspto-grants-2010_04

HRID 827577As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 966064As reactantuspto-grants-2005_10

HRID 968193As reactantuspto-grants-2005_10

HRID 1045538As reactantuspto-grants-2013_10

HRID 1072783As reactantuspto-grants-2005_06

Linked notes

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Basic information