trans-3-Chloroacrylic acid

HCID 638124

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Grundinformationen

CAS: 2345-61-1
Standard-SMILES: O=C(O)/C=C/Cl
InChIKey: MHMUCYJKZUZMNJ-OWOJBTEDSA-N
Summenformel: C3H3ClO2
Durchschnittliche Molmasse: 106,51 g/mol
Monoisotopische Masse: 105,98215702

Überblick

3-chloroacrylic acid is a chlorocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is substituted by chlorine. It is a monocarboxylic acid and a chlorocarboxylic acid. It is functionally related to an acrylic acid. It is a conjugate acid of a 3-chloroacrylate.

Namen und Bezeichner

Bevorzugter Name: trans-3-Chloroacrylic acid
IUPAC: (E)-3-chloroprop-2-enoic acid

Namen und Synonyme

trans-3-Chloroacrylic acid2-Propenoic acid, 3-chloro-, (E)-trans-3-Chloropropenoic acid(2E)-3-Chloro-2-propenoic acid(E)-3-Chloro-2-propenoic acidAcrylic acid, 3-chloro-, trans-Acrylic acid, 3-chloro-, (E)-trans-beta-Chloroacrylic acidCCRIS 3546EINECS 219-070-0NSC 520953BRN 1720279

Weitere Namen anzeigen

DTXSID4010309074-02-00-01481 (Beilstein Handbook Reference)RefChem:898793DTXCID909116362-Propenoic acid, 3-chloro-, (E)-(9CI)219-070-02345-61-1(E)-3-Chloroacrylic acid

Datenbank-Bezeichner

CAS: 2345-61-1、26952-44-3、625-40-1
PubChem CID: 638124
DTXSID: DTXSID401030907
ChEBI: CHEBI:19982
EC Number: 219-070-0
Nikkaji: J1.684E、J1.807D

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP: 0,7
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 76,9

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (98.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 73 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.