Grundinformationen
- Standard-SMILES
CCOC(=O)C=[N+]=[N-]- InChIKey
YVPJCJLMRRTDMQ-UHFFFAOYSA-N- Summenformel
- C4H6N2O2
- Durchschnittliche Molmasse
- 114,1 g/mol
- Monoisotopische Masse
- 114,04292744
Namen und Bezeichner
- Bevorzugter Name
- Ethyl diazoacetate
- IUPAC
- ethyl 2-diazoacetate
- Lokaler Name
- Diazoessigsäure-ethylester
- Englischer Name
- Ethyl diazoacetate
- Summenformel
- C4H6N2O2
- Molmasse
- 114.1
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
623-73-4- PubChem CID
- 12192
- ChEMBL
CHEMBL4212182- UNII
- N84B835FMR
- EC Number
- 210-810-8
- Nikkaji
- J2.294.246H、J25.573D、J3.230.208D、J3.230.209B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 28,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 126
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- -22 °C · -22 °C (lit.)
- Siedepunkt
- 140 · 140-141 °C/720 mmHg (lit.)
- Dichte
- 1.085 g/mL · 1.085 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.46(lit.)
- Flammpunkt
- 115 °F · 115 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), DMSO (Soluble), Hexane (Slightly), Methanol (Slightly)
- Aggregatzustand
- Oil
- Farbe
- Light Yellow to Orange
- Merck
- 13 · 13,3021
- BRN
- 107654 · 107654
- InChI
- InChI=1S/C4H6N2O2/c1-2-8-4(7)3-6-5/h3H,2H2,1H3
- InChIKey
- YVPJCJLMRRTDMQ-UHFFFAOYSA-N
- SMILES
- C(=O)(OCC)C=[N+]=[N-]
- NIST chemische Informationen
- Ethyl diazoacetate(623-73-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 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
Hazards Summary
Highly volatile and explosive; [Merck Index] May explode on heating; An irritant; May cause nervous system disturbances; Possible carcinogen and mutagen; Targets the liver and pancreas; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS] See Diazodinitrophenol.
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
1.2 [mg/m3]
13 [mg/m3]
79 [mg/m3]
Toxikologische Informationen
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29270000
- RTECS-Nr.
- AG5775000
- risk_code
- 5-10-22-40-67-65-48/20-38-11-63
- hazard_code
- Xn,F
- safety_code
- 36/37-62-16
- hazard_class
- 3.2
- packing_group
- III
- Speicherklasse
- 5.2 - Organic peroxides and self-reacting hazardous materials
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 3Self-react. ESkin Irrit. 2
Chemie und Industrie
Anwendungen
VerwendenReagent for ruthenium-catalyzed asymmetric cyclopropanation of alkenes.1
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