Ethylnitroacetat

Ethyl nitroacetate

HCID 69379CAS 626-35-7

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Grundinformationen

Standard-SMILES: CCOC(=O)C[N+](=O)[O-]
InChIKey: FTKASJMIPSSXBP-UHFFFAOYSA-N
Summenformel: C4H7NO4
Durchschnittliche Molmasse: 133,1 g/mol
Monoisotopische Masse: 133,0375077

Namen und Bezeichner

Bevorzugter Name: Ethyl nitroacetate
IUPAC: ethyl 2-nitroacetate
Lokaler Name: Ethylnitroacetat
Englischer Name: Ethyl nitroacetate
Summenformel: C4H7NO4
Molmasse: 133.1

Namen und Synonyme

Ethyl nitroacetate626-35-7Nitroacetic acid ethyl esterAcetic acid, nitro-, ethyl esterAcetic acid, 2-nitro-, ethyl esterNSC-423027SX8B7W4RDDTXSID9060817RefChem:139017DTXCID1043415210-944-7ethyl 2-nitroacetate

Weitere Namen anzeigen

Ethyl nitrocetateJACS-626-35-72-nitrobutanoateEthlnitroacetateEthylNitroacetate>Ethylnitroacetate,97%Ethyl nitroacetate,98%

EthylnitroacetateMFCD00007403nitro ethyl acetateEINECS 210-944-7NSC 42302BRN 1210027ethyinitroacetate2-Nitroacetic Acid Ethyl Ester; Ethyl 2-Nitroacetate; Ethyl Nitroacetate; NSC 42302; Nitroacetic Acid Ethyl Ester

Datenbank-Bezeichner

CAS: 626-35-7
PubChem CID: 69379
DTXSID: DTXSID9060817
UNII: 7SX8B7W4RD
EC Number: 210-944-7
Nikkaji: J135.425F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 72,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 9
Formalladung: 0
Komplexität: 116

Physikochemische Eigenschaften

Siedepunkt: 105 · 105-107 °C/25 mmHg (lit.)
Dichte: 1.199 g/mL · 1.199 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.424(lit.)
Flammpunkt: 198 °F · 198 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka: 1 · pK1:5.85 (25°C)
Aggregatzustand: Liquid
Farbe: Clear colorless to slightly yellow
Wasserlöslichkeit: Slightly soluble in water. Soluble in chloroform and ethyl acetate.
BRN: 1210027 · 1210027
InChI: 1S/C4H7NO4/c1-2-9-4(6)3-5(7)8/h2-3H2,1H3
InChIKey: FTKASJMIPSSXBP-UHFFFAOYSA-N
SMILES: CCOC(=O)C[N+]([O-])=O
CAS Datenbank: 626 · 626-35-7(CAS DataBase Reference)
NIST chemische Informationen: Acetic acid, nitro-, ethyl ester(626-35-7)
EPA chemische Informationen: Acetic acid, nitro-, ethyl ester (626-35-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (30%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 6 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.