DL-2-(4-Chlorphenyl)propansaeure

2-(4-CHLOROPHENYL)PROPANOIC ACID · 4-(Chlormethyl)phenylacetic · 2-(4-chlorophenyl)propanoicaci · 2-(4-chlorophenyl)propaNAic acid · 4-(Chlormethyl)Phenylacetic Acid · A-(P-CHLOROPHENYL)PROPIONIC ACID · 2-(p-chlorophenyl)propionic acid · p-Chloro-methylphenyl acetic acid

https://huagongshe.com/de/chemical/102525

Molekülstruktur von DL-2-(4-Chlorphenyl)propansaeure

Identifikatoren & physikalische Daten

CAS No.	938-95-4
Summenformel	C9H9ClO2
Durchschnittliche Molmasse	184,62 g/mol
Monoisotopische Masse	184,02910721 g/mol
SMILES	CC(C(=O)O)c1ccc(Cl)cc1
InChIKey	YOZILQVNIWNPFP-UHFFFAOYSA-N
PubChem CID	102525
EC No.	213-351-1
DTXSID	DTXSID10912625
Lokaler Name	DL-2-(4-Chlorphenyl)propansaeure

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	37,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	12
Formalladung	0
Komplexität	162
Schmelzpunkt	57-61 °C
Siedepunkt	121-126°C 0,2mm
Dichte	1.263±0.06 g/cm3(Predicted)
Flammpunkt	121-126°C/0.2mm
Lagerbedingungen	Refrigerator
Löslichkeit	DMSO (Slightly), Methanol (Slightly)Soluble in water.
Aggregatzustand	Solid
pKa (Säurekonstante)	4.21±0.10(Predicted)
Farbe	White to Off-White
BRN	2328710
InChI	1S/C9H9ClO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)
InChIKey	YOZILQVNIWNPFP-UHFFFAOYSA-N
SMILES	CC(C(O)=O)c1ccc(Cl)cc1
CAS Datenbank	938-95-4(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (88.6%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (88.6%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 2811 6.1/PG 3
Zollcode	2916399090
R-Sätze (R)	22-36-43
Gefahrensymbole	Xn
Sicherheitshinweise (S)	26-36/37
Lagerklasse	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Gefahrenklasse	Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1

Anwendungen & Verwendung

Verwenden

4-Chloro-alpha-methylphenylacetic acid is used to produce a-(4-Chlor-3-nitrophenyl)propionsaure. It is used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs.