3-Chloropropionic acid

3-Chloropropionic--d4 Acid · 3-Chloro(2H4)propanoic acid

https://huagongshe.com/de/chemical/178944950

Molekülstruktur von 3-Chloropropionic acid

Identifikatoren & physikalische Daten

CAS No.	1219802-17-1
Summenformel	C3H5ClO2
Durchschnittliche Molmasse	108,52 g/mol
SMILES	O=C(O)CCCl
InChIKey	QEYMMOKECZBKAC-UHFFFAOYSA-N
ChEMBL	CHEMBL1990700
EC No.	203-534-4

Chemische & physikalische Eigenschaften

XLogP	0,4
Polarare Oberfläche (TPSA)	37,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	6
Formalladung	0
Komplexität	52,8
Stoffklassen	Other Classes -> Organic Acids
SpringerMaterials Properties	Nuclear quadrupole resonance spectroscopy
LogP (Verteilungskoeffizient)	0.41
Dichte	1.26 (USCG, 1999) - Denser than waterwill sinkDENSITY= 1.198 @ 0 °C/4 °CBP= 155-157 °C /METHYL ESTER/
Color/Form	LEAFLETS FROM PETROLEUM ETHERCRYSTALS
Löslichkeit	FREELY SOL IN WATER, ALC, CHLOROFORMMISCIBLE WITH ETHER
Flammpunkt	greater than 230 °F (USCG, 1999)Flash point > 110 °C
Siedepunkt	392 °F at 760 mmHg (USCG, 1999)200 °C
Schmelzpunkt	106 °F (USCG, 1999)41 °C
Dampfdruck	0.33 [mmHg]
Physical Description	3-chloropropionic acid appears as a white crystalline solid with a sharp odor. Denser than water. (USCG, 1999)Somewhat hygroscopic[Merck Index] White solid[CAMEO]
Dissociation Constants	K: @ 25 °C= 1.01X10-4

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (24.1%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Regulatorische Informationen	Chemical: Propanoic acid, 3-chloro-Status: Active Update: 04-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/122623-Chloropropionic acid: Does not have an individual approval but may be used under an appropriate group standard
DOT-Kennzeichnung	Corrosive
Brandgefahren	Special Hazards of Combustion Products: Contain toxic chloride fumes.
Gesundheitsgefahren	Contact may cause skin and eye burns. Harmful if swallowed. (USCG, 1999)
Gefahrenübersicht	Emergency treatment: irritants[HSDB] May cause burns to skin and eyes[CAMEO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[MSDSonline]
Reaktive Gruppe	Acids, Carboxylic
Reactivity Profile	3-CHLOROPROPIONIC ACID reacts exothermically with bases. Reacts with aqueous solutions containing a base and dissolves if neutralization generates a soluble salt. May react with active metals to form gaseous hydrogen and a metal salt. May corrode or dissolve iron, steel, and aluminum parts and containers. Reacts with cyanide salts to generate gaseous hydrogen cyanide. Reacts with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides to generate flammable and/or toxic gases and heat. Reacts with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Reacts with carbonates and bicarbonates to generate a harmless gas (carbon dioxide) but some heat. Can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. May initiate polymerization reactions or catalyze other chemical reactions. Fires produces highly toxic chloride fumes (USCG, 1999).

Anwendungen & Verwendung

Verwenden

3-Chloropropionic-2,2,3,3-d4 Acid (CAS# 1219802-17-1) is a useful isotopically labeled research compound.