3-Chlor-1,1-diethoxypropan

3-Chloro-1,1-diethoxypropane

HCID 96217CAS 35573-93-4

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCOC(CCCl)OCC
InChIKey: NXHONHDWVLPPCS-UHFFFAOYSA-N
Summenformel: C7H15ClO2
Durchschnittliche Molmasse: 166,64 g/mol
Monoisotopische Masse: 166,0760574

Namen und Bezeichner

Bevorzugter Name: 3-Chloro-1,1-diethoxypropane
IUPAC: 3-chloro-1,1-diethoxypropane
Lokaler Name: 3-Chlor-1,1-diethoxypropan
Englischer Name: 3-Chloropropionaldehyde diethylacetal
Summenformel: C7H15ClO2
Molmasse: 166.65

Namen und Synonyme

3-Chloro-1,1-diethoxypropane35573-93-4Propane, 3-chloro-1,1-diethoxy-EINECS 252-623-4NSC 60136.beta.-Chloropropionaldehyde diethyl acetalDTXSID20189048beta-Chloropropionaldehyde diethyl acetalPropionaldehyde, 3-chloro-, diethyl acetalRefChem:93358DTXCID50111539252-623-4

Weitere Namen anzeigen

oroprionaLdehyde DiethyL(stabilized with CaCO3)3,3-Diethoxypropyl chloride3-chloro-1,1-diethoxy-propanβ-Chloropropanal Diethyl Acetal

InChI=1/C7H15ClO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6H2,1-2HNXHONHDWVLPPCS-UHFFFAOYSA-N3-Chloropropionaldehyde diethyl acetal3-Chloropropionaldehyde diethylacetalMFCD000009943-Chloropropionaldehydediethylacetal3-chloro-1,1-diethoxy-propane1-Chloro-3,3-diethoxypropane

Datenbank-Bezeichner

CAS: 35573-93-4
PubChem CID: 96217
DTXSID: DTXSID20189048
UNII: UD3QX8C2FY
EC Number: 252-623-4
Nikkaji: J260.651H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 6
Schwere Atome: 10
Formalladung: 0
Komplexität: 62,6

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Ethers

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Siedepunkt: 84 °C25 · 84 °C25 mm Hg(lit.)
Dichte: 0.995 g/mL · 0.995 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.42(lit.)
Flammpunkt: 98 °F · 98 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
Farbe: Colourless to Off-White
BRN: 1698609 · 1698609
InChI: InChI=1S/C7H15ClO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6H2,1-2H3
InChIKey: NXHONHDWVLPPCS-UHFFFAOYSA-N
SMILES: C(OCC)(OCC)CCCl
CAS Datenbank: 35573 · 35573-93-4(CAS DataBase Reference)
NIST chemische Informationen: «beta»-Chloropropionaldehyde diethyl acetal(35573-93-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information3-Chloro-1,1-diethoxypropane: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (98%)

Sicherheitsdaten

F: 10-21
wgk: 3
ridadr: UN 1989 3/PG 3
hs_code: 29091990
risk_code: 10-36/37/38
hazard_code: Xi,F
safety_code: 26-36-16
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Chloropropionaldehyde diethylacetal has been used in the synthesis of:N-[4-[[3-(2, 4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl]amino]benzoyl]-L-glutamic acid, an acyclic analog of 5,6,7,8-tetrahydrofolic acid1-(D,L)-(3′-amino, 3′-carboxypropyl)uracil, nucleoamino acid7-methoxychromanonegrignard reagent