Grundinformationen
- Standard-SMILES
COC(OC)N(C)C- InChIKey
ZSXGLVDWWRXATF-UHFFFAOYSA-N- Summenformel
- C5H13NO2
- Durchschnittliche Molmasse
- 119,16 g/mol
- Monoisotopische Masse
- 119,09462866
Überblick
N,N-dimethylformamide dimethyl acetal is an acetal obtained by formal condensation of N,N-dimethylformamide with methanol. N,N-dimethylformamide dimethyl acetal is a derivatisation agent used in gas-chromatography applications. It has a role as a chromatographic reagent. It is a tertiary amino compound and an acetal. It is functionally related to a N,N-dimethylformamide.
Namen und Bezeichner
- Bevorzugter Name
- Dimethylformamide dimethyl acetal
- IUPAC
- 1,1-dimethoxy-N,N-dimethylmethanamine
- Lokaler Name
- 1,1-Dimethoxytrimethylamin
- Englischer Name
- N,N-Dimethylformamide dimethyl acetal
- Summenformel
- C5H13NO2
- Molmasse
- 119.16
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
4637-24-5- PubChem CID
- 78373
- DTXSID
DTXSID3063540- ChEBI
CHEBI:85061- UNII
- DF7CTT5QPH
- EC Number
- 225-063-3
- Nikkaji
- J24.180F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 21,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 52,4
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- -85 °C · -85°C
- Siedepunkt
- 102 · 102-103 °C/720 mmHg (lit.)
- Dichte
- 0.897 g/mL · 0.897 g/mL at 25 °C (lit.)
- Dampfdruck
- 34.5 hPa · 34.5hPa at 20℃
- Brechungsindex
- 20 · n20/D 1.396(lit.)
- Flammpunkt
- 45 °F · 45 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Miscible with most organic solvents.
- Aggregatzustand
- Solid
- pka
- 5 · 5.00±0.50(Predicted)
- Farbe
- White to off-white
- PH
- 7 · 7 (H2O)
- Explosionsgrenze
- 1.3 · 1.3-17.7%(V)
- Wasserlöslichkeit
- hydrolysis
- BRN
- 506020 · 506020
- InChI
- 1S/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H3
- InChIKey
- ZSXGLVDWWRXATF-UHFFFAOYSA-N
- SMILES
- COC(OC)N(C)C
- LogP
- 0.75 · 0.750 (est)
- CAS Datenbank
- 4637 · 4637-24-5(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Methanamine, 1,1-dimethoxy-N,N-dimethyl-(4637-24-5)
- EPA chemische Informationen
- 1 · Methanamine, 1,1-dimethoxy-N,N-dimethyl- (4637-24-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+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 230 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Methanamine, 1,1-dimethoxy-N,N-dimethyl-
Status: Active Update: 13-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/11035
Dimethylformamide-dimethylacetal: Does not have an individual approval but may be used under an appropriate group standard
Toxikologische Informationen
Sicherheitsdaten
- F
- 21
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3271 3/PG 2
- hs_code
- 29225000
- risk_code
- 11-22-36/37/38-36/38-20-20/21/22-10-52
- Toxizität
- LD50 orally in Rabbit: > 5000 mg/kg
- hazard_code
- F,Xn,Xi
- safety_code
- 16-26-36/37-36/37/39-33-29-7/9
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 InhalationEye Dam. 1Flam. Liq. 2Skin Sens. 1
- Selbstentzündungstemperatur
- 155 °C
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenN,N-Dimethylformamide dimethyl acetal is used as an intermediate in the formation of pyridine derivatives, which exhibits inhibition against PI3 kinase p110alfa enzymes. It is utilized for the derivatization of primary sulfonamides and trifluoroacetic acid. It is also used in the preparation of formamidine derivatives. It is used as a reagent for n-dimethylaminomethylene and methyl esters. Further, it is used to catalyze the coupling of epoxides with carbon dioxide to prepare cyclic carbonates.
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Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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Ergänzende Hinweise
DefinitionChEBI: An acetal obtained by formal condensation of N,N-dimethylformamide with methanol. N,N-dimethylformamide dimethyl acetal is a derivatisation agent used in gas-chromatography applica ions
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