2,4-dichlorphenylessigsaeure

2,4-Dichlorophenylacetic acid

HCID 88209CAS 19719-28-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C(O)Cc1ccc(Cl)cc1Cl
InChIKey: GXMWLJKTGBZMBH-UHFFFAOYSA-N
Summenformel: C8H6Cl2O2
Durchschnittliche Molmasse: 205,03 g/mol
Monoisotopische Masse: 203,97448479

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichlorophenylacetic acid
IUPAC: 2-(2,4-dichlorophenyl)acetic acid
Lokaler Name: 2,4-dichlorphenylessigsaeure
Englischer Name: 2,4-Dichlorophenylacetic acid
Summenformel: C8H6Cl2O2
Molmasse: 205.04

Namen und Synonyme

2,4-Dichlorophenylacetic acid19719-28-92-(2,4-dichlorophenyl)acetic acidBenzeneacetic acid, 2,4-dichloro-DTXSID4041363UNII-15N730ND47EINECS 243-248-7NSC 54853NSC-5485315N730ND472,4-DICHLOROBENZENEACETIC ACIDDTXCID2021363

Weitere Namen anzeigen

DCAA2,4-DCPA2,4-dcaa acid2.4-DichlorophRARECHEM AL BO 0113TIMTEC-BB SBB003502LABOTEST-BB LT00454968Guanfacine Impurity 152,4-dcaa acid spike mix

EC 243-248-7DICHLOROPHENYLACETIC ACID, 2,4-ACETIC ACID, (2,4-DICHLOROPHENYL)-RefChem:82395243-248-7GXMWLJKTGBZMBH-UHFFFAOYSA-NInChI=1/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12(2,4-dichlorophenyl)acetic acid

Datenbank-Bezeichner

CAS: 19719-28-9
PubChem CID: 88209
DTXSID: DTXSID4041363
ChEMBL: CHEMBL3185822
UNII: 15N730ND47
EC Number: 243-248-7
Nikkaji: J43.084F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 172

Physikochemische Eigenschaften

Schmelzpunkt: 129 · 129-131 °C (lit.)
Siedepunkt: 294.45 °C · 294.45°C (rough estimate)
Dichte: 1.3806 · 1.3806 (rough estimate)
Brechungsindex: 1.549 · 1.5490 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: 0.1 g/mL, · methanol: 0.1 g/mL, clear
pka: 3.92 · 3.92±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to pale yellow-beige
Wasserlöslichkeit: SOLUBLE IN HOT WATER
BRN: 1948767 · 1948767
InChI: 1S/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChIKey: GXMWLJKTGBZMBH-UHFFFAOYSA-N
SMILES: OC(=O)Cc1ccc(Cl)cc1Cl
LogP: -0.3 · -0.3-2.8 at 23℃ and pH2-7
CAS Datenbank: 19719 · 19719-28-9(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2,4-Dichlorophenylacetic acid(19719-28-9)
EPA chemische Informationen: 2 · 2,4-Dichlorophenylacetic acid (19719-28-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (98.8%): 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 80 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzeneacetic acid, 2,4-dichloro-

Status: Active Update: 11-08-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11714

Hazard Classes and CategoriesSkin Irrit. 2 (98.8%)

Sicherheitsdaten

wgk: 3
hs_code: 29163990
risk_code: 36/37/38-67
hazard_code: Xi
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,4-Dichlorophenylacetic acid has been used as internal standard in:determination of phenoxyalkanoic acid herbicides in blood by GC with electron-capture detectiondetermination of 2-methyl-4-chlorophenoxyacetic acid (herbicide) in soils by GC technique