Methyl-4-chlorphenylacetat

methyl 2-(4-chlorophenyl)acetate · AURORA KA-6004 · ASISCHEM D13373 · Chlorophenyl acetate · METHYL 4-CHLOROPHENYLACETATE · Methyl p-chlorophenylacetate · Methyl 4-chlorophenylacetate 99% · Methyl 4-chlorophenylacetate,99%

https://huagongshe.com/de/chemical/104196

Molekülstruktur von Methyl-4-chlorphenylacetat

Identifikatoren & physikalische Daten

CAS No.	52449-43-1
Summenformel	C9H9ClO2
Durchschnittliche Molmasse	184,62 g/mol
Monoisotopische Masse	184,02910721 g/mol
SMILES	COC(=O)Cc1ccc(Cl)cc1
InChIKey	WWIYGBWRUXQDND-UHFFFAOYSA-N
PubChem CID	104196
EC No.	257-927-0
DTXSID	DTXSID60200448
Lokaler Name	Methyl-4-chlorphenylacetat

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	26,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	12
Formalladung	0
Komplexität	151
SpringerMaterials Properties	Chemical shift
Siedepunkt	115 °C / 6mmHg
Dichte	1.20
Brechungsindex	1.522-1.524
Flammpunkt	250 °C
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Chloroform, DCM, Methanol
Aggregatzustand	Liquid
Farbe	Clear slightly yellow
InChI	InChI=1S/C9H9ClO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChIKey	WWIYGBWRUXQDND-UHFFFAOYSA-N
SMILES	C1(CC(OC)=O)=CC=C(Cl)C=C1
CAS Datenbank	52449-43-1(CAS DataBase Reference)
NIST chemische Informationen	Benzeneacetic acid, 4-chloro-, methyl ester(52449-43-1)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Zollcode	29420000
R-Sätze (R)	36/37/38
Sicherheitshinweise (S)	24/25-36/37/39

Anwendungen & Verwendung

Verwenden

(4-Chlorophenyl)acetic Acid Methyl Ester is an intermediate in the synthesis of 4-Chloro-N-(2-hydroxypropyl)benzeneacetamide (C368125), a reagent in the synthesis of Lorcaserin Hydrochloride (L469890).