Methyl-2,2,2-trichloracetimidat

Methyl 2,2,2-trichloroacetimidate

HCID 100479CAS 2533-69-9

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Grundinformationen

Standard-SMILES: COC(=N)C(Cl)(Cl)Cl
InChIKey: OGBINJLTBZWRRB-UHFFFAOYSA-N
Summenformel: C3H4Cl3NO
Durchschnittliche Molmasse: 176,42 g/mol
Monoisotopische Masse: 174,93584679

Namen und Bezeichner

Bevorzugter Name: Methyl 2,2,2-trichloroacetimidate
IUPAC: methyl 2,2,2-trichloroethanimidate
Lokaler Name: Methyl-2,2,2-trichloracetimidat
Englischer Name: Methyl 2,2,2-trichloroacetimidate
Summenformel: C3H4Cl3NO
Molmasse: 176.43

Namen und Synonyme

Methyl 2,2,2-trichloroacetimidate2533-69-9Ethanimidic acid, 2,2,2-trichloro-, methyl esterEINECS 219-796-8DTXSID501236770NSC 306728RefChem:812832DTXCID801667702219-796-8methyl 2,2,2-trichloroethanimidateMFCD00001759C3H4Cl3NO

Weitere Namen anzeigen

Methyl 2,2,2-TrichlorozcetimidateMethyle2, 2, 2-trichloroacetimidateMethyl 2,2,2-trichloroacetimidate,98%Trichloroacetimidic acid methyl esterMethyl 2,2,2-trichloroacetimidate 98%Methyl 2,2,2-trichloroethanecarboxiMidate

methyl-2,2,2-trichloroacetimidateSCHEMBL1071106METHYL TRICHLOROACETIMIDATEMethyl2,2,2-trichloroacetimidateMethyl-2.2.2-trichloroacetimidatemethyl 2,2,2-trichloroethanimidoateAKOS009157734AB00153

Datenbank-Bezeichner

CAS: 2533-69-9
PubChem CID: 100479
DTXSID: DTXSID501236770
EC Number: 219-796-8
Nikkaji: J192.023E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 33,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 97,2

Physikochemische Eigenschaften

Schmelzpunkt: -30 °C · -30 °C
Siedepunkt: 148 · 148-149 °C (lit.)
Dichte: 1.425 g/mL · 1.425 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.478(lit.)
Flammpunkt: 165 °F · 165 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
pka: 2.22 · 2.22±0.70(Predicted)
Wichte: 1.425 · 1.425
Farbe: Clear colorless to pale yellow
InChI: InChI=1S/C3H4Cl3NO/c1-8-2(7)3(4,5)6/h7H,1H3
InChIKey: OGBINJLTBZWRRB-UHFFFAOYSA-N
SMILES: C(=N)(OC)C(Cl)(Cl)Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29252900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenMethyl 2,2,2-trichloroacetimidate was used as starting material during the synthesis of novel bibenzimidazole oligomers and polymers. It was employed as reagent during the synthesis of 2,2′-bisbenzimidazole-5,5′-dicarboxylic acid.