Butanoic acid, 4-chloro-4-oxo-, ethyl ester (HCID 84648)

Namen und Bezeichner

Bevorzugter Name: Butanoic acid, 4-chloro-4-oxo-, ethyl ester
IUPAC: ethyl 4-chloro-4-oxobutanoate
Lokaler Name: Ethyl-3-(chlorformyl)propionat
Englischer Name: Ethyl Succinyl Chloride
Summenformel: C6H9ClO3
Molmasse: 164.59

Namen und Synonyme

14794-31-1Ethyl 4-chloro-4-oxobutanoateEthyl succinyl chlorideButanoic acid, 4-chloro-4-oxo-, ethyl esterEthyl succinoyl chloridePropionic acid, 3-(chloroformyl)-, ethyl ester3-Carboethoxypropionyl chlorideEINECS 238-855-9DTXSID4065818.beta.-Carbethoxypropionyl chloride.beta.-Ethoxycarbonylpropionyl chlorideRefChem:122120

Weitere Namen anzeigen

SKL1293oro-4-oxobutyrateEthyl siccinyl chlorideETHYLSS-BENZOYLACRYLATE

beta-Carbethoxypropionyl chlorideDTXCID5034806beta-Ethoxycarbonylpropionyl chlorideIXZFDJXHLQQSGQ-UHFFFAOYSA-NEthyl 4-chloro-4-oxobutyrateEthyl 3-(chloroformyl)propionate3-ethoxycarbonylpropionyl chlorideMFCD00000751

Datenbank-Bezeichner

CAS: 14794-31-1
PubChem CID: 84648
DTXSID: DTXSID4065818
UNII: CFH5LG292R
EC Number: 238-855-9
Nikkaji: J24.719G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 10
Formalladung: 0
Komplexität: 133

Physikochemische Eigenschaften

Siedepunkt: 88 · 88-90 °C11 mm Hg(lit.)
Dichte: 1.155 g/mL · 1.155 g/mL at 25 °C(lit.)
Dampfdruck: 48.2 Pa · 48.2Pa at 25℃
Brechungsindex: 20 · n20/D 1.437(lit.)
Flammpunkt: 184 °F · 184 °F
storage temp.: 2 · 2-8°C
Löslichkeit: soluble in Chloroform, Ethyl Acetate
Aggregatzustand: Liquid
Wichte: 1.144 to · 1.144 to 1.17
Farbe: Clear colorless to yellow
Wasserlöslichkeit: 59.01 g/L · 59.01g/L at 25℃
BRN: 1766126 · 1766126
InChI: 1S/C6H9ClO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3
InChIKey: IXZFDJXHLQQSGQ-UHFFFAOYSA-N
SMILES: CCOC(=O)CCC(Cl)=O
LogP: 0.05 · 0.05
CAS Datenbank: 14794 · 14794-31-1(CAS DataBase Reference)
NIST chemische Informationen: 4 · Butanoic acid, 4-chloro-4-oxo-, ethyl ester(14794-31-1)
EPA chemische Informationen: 4 · Butanoic acid, 4-chloro-4-oxo-, ethyl ester (14794-31-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (11.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 05-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19413

Butanoic acid, 4-chloro-4-oxo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (11.5%)；Skin Corr. 1C (100%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Status: Active Update: 05-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19413

Butanoic acid, 4-chloro-4-oxo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29171990
risk_code: 34-36/37-14
hazard_code: C
safety_code: 26-27-36/37/39-45-24/25
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationButanoic acid, 4-chloro-4-oxo-, ethyl ester: ACTIVE

Anwendungen

VerwendenEthyl 4-chloro-4-oxobutyrate was used in the synthesis of:polymer-supported bifunctional catalystsuccinimidyl ester of benzo(a)pyrenesuccinate prodrugs of curcuminoids

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

5-hydroxy-4-oxopentanoic acid 2-[(4-ETHOXY-1,4-DIOXOBUTYL)AMINO]BENZOIC ACID ETHYL ESTER ETHYL 4-[3,4-(ETHYLENEDIOXY)PHENYL]-4-OXOBUTYRATE Ethyl 4-(2-thiazolyl)-4-oxobutyrate ETHYL 4-(4-METHOXY-3-METHYLPHENYL)-4-OXOBUTANOATE ETHYL 4-(2,4-DIMETHOXYPHENYL)-4-OXOBUTYRATE ETHYL 4-(3,5-DIMETHOXYPHENYL)-4-OXOBUTYRATE ETHYL 4-OXO-4-(3-THIENYL)BUTYRATE 4-Oxooctanoic acid ethyl ester

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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