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HCID 18607Erstellt: 27. Oktober 2026

2-(4-Chlorophenyl)-2-propynoic acid

3-(4-chlorophenyl)propiolic acid · 3-(4-chlorophenyl)prop-2-ynoic acid · (4-chlorophenyl)propiolic acid · (4-Chlorophenyl)propargylic Acid · 3-(4-Chlorophenyl)-2-propynoic Acid · 2-Propynoic acid, 3-(4-chlorophenyl)- · Propiolic acid, (p-chlorophenyl)- (8CI)

https://huagongshe.com/de/chemical/18607

Molekülstruktur von 2-(4-Chlorophenyl)-2-propynoic acid

Identifikatoren & physikalische Daten

CAS No.	3240-10-6
Summenformel	C9H5ClO2
Durchschnittliche Molmasse	180,59 g/mol
Monoisotopische Masse	179,9978071 g/mol
SMILES	O=C(O)C#Cc1ccc(Cl)cc1
InChIKey	HXUUKDJAFBRYMD-UHFFFAOYSA-N
PubChem CID	18607
ChEMBL	CHEMBL3274820
EC No.	841-890-8
DTXSID	DTXSID20186113

Chemische & physikalische Eigenschaften

XLogP	2,7
Polarare Oberfläche (TPSA)	37,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	12
Formalladung	0
Komplexität	227
Stoffklassen	Other Classes -> Organic Acids
SpringerMaterials Properties	Density
Color/Form	CRYSTALS FROM ACETIC ACIDPLATES FROM BENZENE
Löslichkeit	INSOL IN WATERSOL IN HOT BENZENE, ACETIC ACID
Schmelzpunkt	192-193 °C
Physical Description	Solid[HSDB]
Siedepunkt	330.2±34.0 °C(Predicted)
Dichte	1.40±0.1 g/cm3(Predicted)
Lagerbedingungen	2-8°C
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	2.46±0.10(Predicted)
Farbe	White to Light yellow to Light orange

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (50%)
Zollcode	2916399090
Gefahrstoffdaten	3240-10-6(Hazardous Substances Data)

2-(4-Chlorophenyl)-2-propynoic acid

CAS No.

3240-10-6

Summenformel

C9H5ClO2

Durchschnittliche Molmasse

180,59 g/mol

Monoisotopische Masse

179,9978071 g/mol

SMILES

O=C(O)C#Cc1ccc(Cl)cc1

InChIKey

HXUUKDJAFBRYMD-UHFFFAOYSA-N

PubChem CID

18607

ChEMBL

CHEMBL3274820

EC No.

841-890-8

DTXSID

DTXSID20186113

Chemische & physikalische Eigenschaften

XLogP

2,7

Polarare Oberfläche (TPSA)

37,3

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

227

Stoffklassen

Other Classes -> Organic Acids

SpringerMaterials Properties

Density

Color/Form

CRYSTALS FROM ACETIC ACIDPLATES FROM BENZENE

Löslichkeit

INSOL IN WATERSOL IN HOT BENZENE, ACETIC ACID

Schmelzpunkt

192-193 °C

Physical Description

Solid[HSDB]

Siedepunkt

330.2±34.0 °C(Predicted)

Dichte

1.40±0.1 g/cm3(Predicted)

Lagerbedingungen

2-8°C

Aggregatzustand

powder to crystal

pKa (Säurekonstante)

2.46±0.10(Predicted)

Farbe

White to Light yellow to Light orange

Sicherheit & Vorschriften

GHS-Einstufung

DangerH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (50%)

Zollcode

2916399090

Gefahrstoffdaten

3240-10-6(Hazardous Substances Data)