Chloromethyl butanoate

HCID 2725008CAS 33657-49-7

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Grundinformationen

Standard-SMILES: CCCC(=O)OCCl
InChIKey: BDPZFQLKFUONAG-UHFFFAOYSA-N
Summenformel: C5H9ClO2
Durchschnittliche Molmasse: 136,58 g/mol
Monoisotopische Masse: 136,02910721

Namen und Bezeichner

Bevorzugter Name: Chloromethyl butanoate
IUPAC: chloromethyl butanoate
Englischer Name: Chloromethyl butyrate
Summenformel: C5H9ClO2
Molmasse: 136.58

Namen und Synonyme

chloromethyl butanoateRefChem:575887806-926-9Chloromethyl butyrate33657-49-7chloromethylbutyrateButanoic acid, chloromethyl esterMFCD00216961Butyric Acid Chloromethyl Esterchloromethyl n-butanoatebutyryloxymethyl chlorideSCHEMBL570396

Weitere Namen anzeigen

5-chloropentanoateChIoromethyl Butyratechloromethyl n-butyrateChloromethyl Butyrate >Chloromethyl butyrate,99%Chloromethyl butanoate2009ChloroMethyl butyrate, 98.5%

DTXSID20369328n-butanoic acid chloromethyl esterAKOS006221918BS-25157FC172310SY018804DB-068868C2841

Datenbank-Bezeichner

CAS: 33657-49-7
PubChem CID: 2725008
DTXSID: DTXSID20369328
EC Number: 806-926-9
Nikkaji: J1.837.669E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 8
Formalladung: 0
Komplexität: 72,8

Physikochemische Eigenschaften

Siedepunkt: 150 °C · 150 °C (744.8493 mmHg)
Dichte: 1.074 · 1.074
Brechungsindex: 1.419 · 1.419-1.421
Flammpunkt: 55 °C · 55 °C
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless
InChI: InChI=1S/C5H9ClO2/c1-2-3-5(7)8-4-6/h2-4H2,1H3
InChIKey: BDPZFQLKFUONAG-UHFFFAOYSA-N
SMILES: C(OCCl)(=O)CCC

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, 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.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

ridadr: 2924
hs_code: 29156000
risk_code: 34-10
hazard_code: C
safety_code: 45-36/37/39-26-16
hazard_class: 3/8
packing_group: III

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwendenclevidipine incorporates a methoxymethyl ester, a function that is readily cleaved to the corresponding acid by serum esterases. The actual experimental details in patents describe the preparation of this compound by simple alkylation of the monoester with chloromethyl butyrate.