Ethyl chloroformate

HCID 10928CAS 541-41-3

Grundinformationen

Standard-SMILES
CCOC(=O)Cl
InChIKey
RIFGWPKJUGCATF-UHFFFAOYSA-N
Summenformel
C3H5ClO2
Durchschnittliche Molmasse
108,52 g/mol
Monoisotopische Masse
107,99780708

Überblick

Ethyl chloroformate appears as a colorless liquid with a pungent odor. Flash point 66 °F. Very toxic by inhalation. Corrosive to metals and tissue. Vapors are heavier than air. Prolonged exposure to low concentrations or short exposure to high concentrations may have adverse health effects from inhalation.

Namen und Bezeichner

Bevorzugter Name
Ethyl chloroformate
IUPAC
ethyl carbonochloridate
Englischer Name
Ethyl chloroformate
Summenformel
C3H5ClO2
Molmasse
108.5236

Namen und Synonyme

ETHYL CHLOROFORMATE541-41-3Ethyl carbonochloridateEthyl chlorocarbonateCathyl chlorideEthoxycarbonyl chlorideChloroformic acid ethyl esterCarbonochloridic acid, ethyl esterChlorocarbonic acid ethyl esterEtil cloroformiatoEthylchloorformiaatETHYLCHLOROFORMATE
Weitere Namen anzeigen
Etil clorocarbonatoFormic acid, chloro-, ethyl esterEthyl chloromethanoateChlorocarbonate D'ethyleEthyle, chloroformiat D'ClhorameisensaeureaethylesterCloroformiato de etiloTL 423

Datenbank-Bezeichner

CAS
541-41-3
PubChem CID
10928
DTXSID
DTXSID1027186
ChEMBL
CHEMBL3183406
UNII
09601EZP9R
EC Number
208-778-5
Nikkaji
J53.980E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
6

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Toxic Gases & Vapors -> Acid Halides

Corrosives

SpringerMaterials PropertiesBoiling point
OdorSharp, like hydrochloric acid
Density · 4 Einträge

1.135 at 68 °F (USCG, 1999) - Denser than water; will sink

1.1403 @ 20 °C/4 °C

Relative density (water = 1): 1.1

1.1442 @ 15°C

Color/FormWATER-WHITE LIQUID
Solubility · 3 Einträge

PRACTICALLY INSOL & GRADUALLY DECOMP IN WATER

MISCIBLE WITH ALC, BENZENE, CHLOROFORM, ETHER

Solubility in water: reaction

Physikochemische Eigenschaften

Schmelzpunkt
-81 °C · -81 °C
Siedepunkt
93 °C · 93 °C
Dichte
1.135 · 1.135
Dampfdichte
3.75 · 3.75 (vs air)
Dampfdruck
54 hPa · 54 hPa at 20 °C
Flammpunkt
10 °C · 10 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 3.7% (11 of 299) of reports.

Danger

H225 (96.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

Gefahrenhinweise

Hazards IdentificationToxic/poison by inhalation (TIH/PIH)
Regulatory Information · 5 Einträge

Chemical: Carbonochloridic acid, ethyl ester

Carbonochloridic acid, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbonochloridic acid, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 19-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/13646

Ethoxycarbonyl chloride: HSNO Approval: HSR002989 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Carbonochloridic acid, ethyl ester: Human health tier I assessment
DOT LabelPoison Inhalation Hazard Flammable Liquid Corrosive
Fire Hazards · 3 Einträge

Special Hazards of Combustion Products: Toxic chlorine and phosgene gases may be formed in fires. (USCG, 1999)

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive.

Fire Potential · 2 Einträge

DANGEROUS; WHEN EXPOSED TO HEAT, FLAME, OXIDIZERS

FLAMMABLE, DANGEROUS FIRE RISK

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

Use alcohol-resistant foam, powder, carbon dioxide. NO water. In case of fire: keep cylinder cool by spraying with water. NO direct contact with water.

First Aid Measures · 4 Einträge

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

INHALATION: remove to fresh air; use artificial respiration if breathing has stopped; call a doctor; keep victim quiet and administer oxygen if needed.

General First Aid:

Safe StorageFireproof. Separated from strong oxidants, food and feedstuffs and incompatible materials. See Chemical Dangers. Cool. Dry. Well closed.
Firefighting HazardsFlammable liquid. Vapors are heavier than air & may travel to a source of ignition & flash back. Combustion by-products include hydrogen chloride & other irritants & toxic gases.

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Ethyl chloroformate hydrolyzes readily in water (half-life of 31.5 min at 25 °C)(1); therefore, aqueous hydrolysis will be the dominate fate process in moist soils(SRC). Ethyl chloroformate has a relatively high vapor pressure (22.4 mm Hg at 25 dec C(2)) which suggests that evaporation from dry surfaces can occur(SRC). Results of a single biodegradation study (using the Japanese MITI protocol) have classified ethyl chloroformate as biodegradable(3) but this is probably the hydrolysis product(SRC).

AQUATIC FATE: Ethyl chloroformate hydrolyzes readily in water (half-life of 31.5 min at 25 °C)(1); therefore, aqueous hydrolysis will be the dominate fate process in the aquatic environment(SRC). Aqueous volatilization, bioconcentration and adsorption to sediment are not expected to be important fate processes due to ethyl chloroformate's rapid hydrolysis(SRC).

ATMOSPHERIC FATE: Based upon a vapor pressure of 22.4 mm Hg at 25 °C(1), ethyl chloroformate is expected to exist primarily in the vapor phase in the ambient atmosphere(2,SRC). It will degrade in the ambient atmosphere by reaction with photochemically produced hydroxyl radicals with an estimated half-life of about 11 day(3,SRC). Since ethyl chloroformate hydrolyzes readily in water, atmospheric degradation may occur through dissolution into clouds or through contact with rain or other atmospheric water(SRC).

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation and by ingestion.
Signs and Symptoms · 4 Einträge

Burning sensation. Cough. Laboured breathing. Shortness of breath. Sore throat. Symptoms may be delayed.

Skin burns. Blisters. Pain. Redness.

Redness. Pain. Severe deep burns.

Abdominal pain. Burning sensation. Shock or collapse.

ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.
Medical SurveillanceSPECIAL ATTENTION SHOULD BE GIVEN THE EYES & RESP TRACT IN MEDICAL EXAM. /CHLOROFORMATES/

Sicherheitsdaten

ridadr
UN 1182
hazard_class
6.1
packing_group
I

Chemie und Industrie

Verwendung und Herstellung

Uses · 6 Einträge

Used as solvent in the photographic industry and to make carbamates for the production of dyes, drugs, veterinary medicines, herbicides and insecticides; Used as a stabilizer for PVC; [HSDB]

Photographic Processing [Category: Other]

CHEM INT FOR ORE FLOTATION AGENTS; DIETHYL CARBONATE; ISOCYANATES; POLYMERS

Organic synthesis

In the manufacture of ore flotation agents by reaction with various alkyl xanthates.

Used as solvent in the photographic industry; also employed in the production of carbamates that are used to synthesis dyes, drugs, veterinary medicines, herbicides and insecticides...ethyl chloroformate is the most important commercial chloroformic ester...it reacts with ethyl xanthate to produce diethyl xanthogen formate and diethylxanthic anhydride which are used in the floatation of ores...also used as a stabilizer for PVC and in the production of modified penicillins, eg binotal...used to produce carboxylic acids anhydrides from carboxylic acids, secondary amines from tertiary amines, and nitriles from amides and to make heterocyclic compounds.

ImpuritiesCarbon dioxide, hydrogen chloride, phosgene, and alkyl chlorides; main impurities are corresponding carbonates
U.S. Production2020: <50,000 lb
Industry UsesIntermediate
Methods of ManufacturingREACTION OF CARBON MONOXIDE WITH GASEOUS CHLORINE, PRODUCING PHOSGENE (COCL2) WHICH IS THEN TREATED WITH ANHYDROUS ETHANOL GIVING ETHYL CHLOROCARBONATE & SPLITTING OFF HYDROGEN CHLORIDE.
Formulations/Preparations · 3 Einträge

GRADES: TECHNICAL

Typical specifications of commercial chloroformates: purity, 98%; phosgene, <0.1%, iron, <10 ppm; acidity as HCl, <0.1%; alcohol or phenol, <2%

Commercial products have concentrations of 97-99 wt% /chloroformic esters/

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