Ethyliodoacetat

Ethyl iodoacetate

HCID 12183CAS 623-48-3

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Grundinformationen

Standard-SMILES: CCOC(=O)CI
InChIKey: MFFXVVHUKRKXCI-UHFFFAOYSA-N
Summenformel: C4H7IO2
Durchschnittliche Molmasse: 214 g/mol
Monoisotopische Masse: 213,94907746

Überblick

Ethyl iodoacetate is a chemical compound that is a derivative of ethyl acetate. It is a lachrymatory agent.

Namen und Bezeichner

Bevorzugter Name: Ethyl iodoacetate
IUPAC: ethyl 2-iodoacetate
Lokaler Name: Ethyliodoacetat
Englischer Name: Ethyl iodoacetate
Summenformel: C4H7IO2
Molmasse: 214

Namen und Synonyme

ETHYL IODOACETATEethyl 2-iodoacetate623-48-3Acetic acid, iodo-, ethyl esterEthyl monoiodoacetateIodoacetic acid, ethyl esterIodoacetic acid ethyl esterEINECS 210-796-3Ethylester kyseliny jodoctoveEthylester kyseliny jodoctove [Czech]MFCD00001081NSC 58809

Weitere Namen anzeigen

s9Rpn6p44.5Ethyliodoacetate,98%ethylmonoiodoacetateIodoacetic acid ethyl

BRN 0741934Acetic acid, 2-iodo-, ethyl esterX9ZR7PV2QFS 9iodo-acetic acid ethyl ester4-02-00-00535 (Beilstein Handbook Reference)NSC-58809ethyliodoacetate

Datenbank-Bezeichner

CAS: 623-48-3
PubChem CID: 12183
DTXSID: DTXSID5060770
UNII: X9ZR7PV2QF
EC Number: 210-796-3
Nikkaji: J54.938J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 7
Formalladung: 0
Komplexität: 62,7

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Esters

SpringerMaterials PropertiesBoiling point

Physical DescriptionClear dark brown liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 25 °C · <25 °C
Siedepunkt: 179 · 179-180 °C(lit.)
Dichte: 1.808 g/mL · 1.808 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.503(lit.)
Flammpunkt: 170 °F · 170 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Farbe: Clear light yellow to orange
Wasserlöslichkeit: Insoluble in water.
BRN: 741934 · 741934
InChI: 1S/C4H7IO2/c1-2-7-4(6)3-5/h2-3H2,1H3
InChIKey: MFFXVVHUKRKXCI-UHFFFAOYSA-N
SMILES: CCOC(=O)CI
CAS Datenbank: 623 · 623-48-3(CAS DataBase Reference)
EPA chemische Informationen: Acetic acid, iodo-, ethyl ester (623-48-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H300 (97.7%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationEthyl iodoacetate: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

Causes altered sleep time (including change in righting reflex), somnolence, and convulsions in oral lethal-dose studies of mice and rats; [RTECS] Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Highly toxic by ingestion; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 2 (97.7%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Sicherheitsdaten

F: 8-19
wgk: 3
tsca: TSCA listed
ridadr: UN 2922 8/PG 2
hs_code: 29159000
RTECS-Nr.: AI3575000
risk_code: 25-34
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 6.1
packing_group: II
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 2 OralEye Dam. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationAcetic acid, 2-iodo-, ethyl ester: ACTIVE

Anwendungen

VerwendenEthyl iodoacetate was used in the synthesis of trans-2,3-disubstituted indolines by reacting with 1-azido-2-allylbenzene derivatives via a diastereoselective radical cascade.