2,6-Dichlorphenylessigsure

2,6-Dichlorophenylacetic acid

HCID 81058CAS 6575-24-2

Grundinformationen

Standard-SMILES
O=C(O)Cc1c(Cl)cccc1Cl
InChIKey
SFAILOOQFZNOAU-UHFFFAOYSA-N
Summenformel
C8H6Cl2O2
Durchschnittliche Molmasse
205,03 g/mol
Monoisotopische Masse
203,97448479

Namen und Bezeichner

Bevorzugter Name
2,6-Dichlorophenylacetic acid
IUPAC
2-(2,6-dichlorophenyl)acetic acid
Lokaler Name
2,6-Dichlorphenylessigsure
Englischer Name
2,6-Dichlorophenylacetic acid
Summenformel
C8H6Cl2O2
Molmasse
205.04

Namen und Synonyme

2,6-Dichlorophenylacetic acid6575-24-22-(2,6-dichlorophenyl)acetic acidBenzeneacetic acid, 2,6-dichloro-2,6-dichlorobenzeneacetic acidEINECS 229-504-0K8G025CX8WDTXSID1041633DICHLOROBENZENEACETIC ACID, 2,6-ACETIC ACID, (2,6-DICHLOROPHENYL)-RefChem:445474DTXCID9021633
Weitere Namen anzeigen
Guanfacine ImpurityTIMTEC-BB SBB003503RARECHEM AL BO 01152,6-DichlorophenylaGuanfacine Impurity 12,6-Dichlorphenylessigsure6-Dichlorophenylacetic acid2,6-DICHLORO BENZENEACETIC ACID
229-504-0(2,6-dichlorophenyl)acetic acid2,6-DichlorophenylaceticacidMFCD00004320UNII-K8G025CX8W2,6-DICHLOROPHENYL ACETIC ACIDCHEMBL240293(2,6-dichloro-phenyl)-acetic acid

Datenbank-Bezeichner

CAS
6575-24-2
PubChem CID
81058
DTXSID
DTXSID1041633
ChEMBL
CHEMBL240293
UNII
K8G025CX8W
EC Number
229-504-0
Nikkaji
J81.241B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,6
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
12

Physikochemische Eigenschaften

Schmelzpunkt
158 · 158-161 °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
DMSO (Slightly), Methanol (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 58 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzeneacetic acid, 2,6-dichloro-

Status: Active Update: 06-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17864

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk
3
hs_code
29163900
risk_code
36/37/38
hazard_code
Xi
hazard_note
Irritant
safety_code
37/39-26-26/37/39-36

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,6-Dichlorophenylacetic acid is an inhibitor of isopenicillin N synthase (IPNS) and acyl-CoA: 6-APA acyltransferase. 2,6-Dichlorophenylacetic acid is also part of a group of phenylacetate derivatives that have cytostatic activity against tumour cells.

Darstellung · 1 Eintrag

synthetischeThe preparation of the 2, 6-dichlorophenylacetic acid:the method comprises the following steps: 2, 6-dichlorotoluene is used as a raw material, and is catalyzed by a complex catalyst formed by transition metal and a ligand (wherein, a transition metal catalyst precursor is preferably palladium chloride, an oxidant is preferably TBP (tert-butyl peroxy ether), and a ligand is preferably Xantphos (4, 5-bis (diphenylphosphino) -9, 9-dimethyl xanthene)) in the presence of an alcohol and a catalyst and an oxidant to obtain 2, 6-dichlorophenylacetic acid, and the ethyl 2, 6-dichlorophenylacetate is prepared by hydrolysis and acidification, wherein the total yield is 68.4%. See patent document US2013303798, the reaction procedure is described as synthetic route 1.In the above synthetic route 1, the preparation process of the intermediate ethyl 2, 6-dichlorophenylacetate requires the use of carbon monoxide for high-temperature and high-pressure reaction, and has poor operation safety, high equipment requirement, high cost, and is not favorable for cost reduction and green production of 2, 6-dichlorophenylacetic acid.

Anbieter50 Anbieter

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]
衢州润东化工有限公司0570-8789886 18892685668 · [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]

Zugehörige Reaktionen

32

Verknüpfte Notizen

Wird geladen…