Isopropyl chloroformate

HCID 7917CAS 108-23-6

Grundinformationen

Standard-SMILES
CC(C)OC(=O)Cl
InChIKey
IVRIRQXJSNCSPQ-UHFFFAOYSA-N
Summenformel
C4H7ClO2
Durchschnittliche Molmasse
122,55 g/mol
Monoisotopische Masse
122,01345714

Überblick

Isopropyl chloroformate appears as a clear colorless volatile liquid with a pungent irritating odor. About the same density as water and insoluble in water. Floats on water Very irritating to skin and eyes and very toxic by inhalation, ingestion and skin absorption. Used to make other chemicals.

Namen und Bezeichner

Bevorzugter Name
Isopropyl chloroformate
IUPAC
propan-2-yl carbonochloridate
Lokaler Name
Isopropylchlorcarbonat
Englischer Name
Isopropyl chloroformate
Summenformel
C4H7ClO2
Molmasse
122.55

Namen und Synonyme

Isopropyl chloroformate108-23-6ISOPROPYL CHLOROCARBONATEChloroformic acid isopropyl esterCarbonochloridic acid, 1-methylethyl esterIsopropyl chloromethanoateFormic acid, chloro-, isopropyl ester1-methylethyl chloroformate2-propyl chloroformateUN2407HSDB 2848Carbonochloride acid, 1-methylethyl ester
Weitere Namen anzeigen
isopropyl carbonochloridateIPCFpropan-2-yl carbonochloridateISOPROPYL CHLOROMATEIsopropyl chloroform1-PROPYLCHLOROFORMATE2-MethylchloroformateTenofovir Impurity 95Isopropylchlorcarbonat
Isopropylester kyseliny chlormravenciEINECS 203-563-28LG1G18VXRBRN 0506416AI3-26269Isopropylester kyseliny chlormravenci [Czech]isopropoxycarbonyl chlorideUN-2407

Datenbank-Bezeichner

CAS
108-23-6
PubChem CID
7917
DTXSID
DTXSID7026786
UNII
8LG1G18VXR
EC Number
203-563-2
Nikkaji
J34.720E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Toxic Gases & Vapors -> Acid Halides

Corrosives

SpringerMaterials PropertiesBoiling point
OdorPungent
Density · 4 Einträge

1.08 (EPA, 1998) - Denser than water; will sink

1.078 (20 °C/4 °C)

Relative density (water = 1): 1.08

1.078 @25 °C

Viscosity0.65 cP @ 20 °C
Color/FormCOLORLESS LIQ

Physikochemische Eigenschaften

Siedepunkt
105 °C · 105 °C
Dichte
0.892 g/mL · 0.892 g/mL at 25 °C
Dampfdruck
27.998 hPa · 27.998hPa at 20℃
Brechungsindex
20 · n20/D 1.485(lit.)
Flammpunkt
43 °F · 43 °F
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 208 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

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

Gefahrenhinweise

Hazards IdentificationToxic/poison by inhalation (TIH/PIH)
Regulatory Information · 3 Einträge

Chemical: Carbonochloridic acid, 1-methylethyl ester

Status: Active Update: 01-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/13188

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 InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
DOT LabelPoison Inhalation Hazard Flammable Liquid Corrosive
Fire Hazards · 3 Einträge

Extremely dangerous; this chemical has exploded while stored in refrigerator. Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Like other chlorides, when heated to decomposition or on contact with acids or acrid fumes, they evolve highly toxic chloride fumes. Reacts violently with phosgene. Unstable, avoid phosgene (EPA, 1998)

· 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.

Health Hazards · 2 Einträge

Acute: highly toxic by inhalation, ingestion and skin absorption. Delayed: can produce delayed pulmonary edema (2-24 hours after exposure) similar to that produced by phosgene. Inhalation of material may cause death or permanent injury. (EPA, 1998)

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Isolate for 1/2 mile in all directions if tank car or truck is involved in fire.

Use carbon dioxide, dry powder, alcohol-resistant foam, dry sand. In case of fire: keep drums, etc., 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

Warning: Isopropyl chloroformate is an irritant and is corrosive to the eyes, skin, and respiratory tract. Some effects of exposure may be delayed up to 24 hours. Caution is advised.

General First Aid:

Safe StorageFireproof. Separated from strong oxidants and food and feedstuffs. Dry. Well closed.
Exposure Control and Personal Protection · 2 Einträge

· Wear positive pressure self-contained breathing apparatus (SCBA).

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Isopropyl chlorocarbonate hydrolyzes readily in water (half-life of 5.6 min at 24.5 °C)(1); therefore, aqueous hydrolysis will be the dominate fate process in moist soils(SRC). The low-boiling chloroformic esters, such as isopropyl chlorocarbonate, are highly volatile(2); therefore, evaporation from dry surfaces to the atmosphere will occur(SRC). Results of a single biodegradation study (using the Japanese MITI protocol) have classified ethyl chloroformate (a compound similar in structure to isopropyl chlorocarbonate) as biodegradable(3) but this probably refers to the hydrolysis product(SRC).

AQUATIC FATE: Isopropyl chlorocarbonate hydrolyzes readily in water (half-life of 5.6 min at 24.5 °C)(1); therefore, aqueous hydrolysis will be the dominant fate process in the aquatic environment(SRC). Aqueous volatilization, bioconcentration, biodegradation, and adsorption to sediment are not expected to be important fate processes due to isopropyl chlorocarbonate's rapid hydrolysis(SRC).

ATMOSPHERIC FATE: Based upon a vapor pressure of 100 mm Hg at 47 °C(1), isopropyl chlorocarbonate 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 5 days(3,SRC). Since isopropyl chlorocarbonate 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 of its vapour and by ingestion.
Signs and Symptoms · 4 Einträge

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

Redness. Skin burns. Pain. Blisters.

Watering of the eyes. Redness. Pain. Severe burns.

Abdominal pain. Burning sensation. Shock or collapse.

Medical Surveillance... SPECIAL ATTENTION SHOULD BE GIVEN EYES & RESP TRACT MEDICAL EXAMINATIONS. /CHLOROFORMATES/
Soil Adsorption/Mobility · 1 Eintrag

Using a structure estimation method based on molecular connectivity indexes(1), the Koc for isopropyl chlorocarbonate can be estimated to be approximately 12(SRC). According to a suggested classification scheme(2), this estimated Koc value suggests that isopropyl chlorocarbonate has high mobility in soil(SRC). However, isopropyl chlorocarbonate hydrolyzes readily in water (half-life of 5.6 min at 24.5 °C)(3); therefore, leaching in soil is not expected to be an important fate process(SRC).

Regulatorische Informationen

CERCLA Reportable Quantities · 1 Eintrag

Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Isopropyl chloroformate is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 1,000 lbs.

DHS Chemicals of Interest (COI) · 4 Einträge

Isopropyl chloroformate

1.00

15,000

Toxic chemical that can be released at a facility.

Sicherheitsdaten

F
10-19
wgk
2
tsca
TSCA listed
ridadr
UN 2407
hs_code
29159000
RTECS-Nr.
LQ6475000

Chemie und Industrie

Verwendung und Herstellung

Uses · 5 Einträge

Used in organic synthesis; [CAMEO]

CHEMICAL INTERMEDIATE FOR FREE-RADICAL POLYMERIZATION INITIATORS; ORGANIC SYNTHESIS.

Reactive intermediate to pesticides, veterinary medicines, polymerization initiators and other chemicals.

Intermediate in the manufacture of diisopropyl azidoformate, a blowing agent.

Intermediate in production of the herbicide IPC and in preparation of dialkyl peroxycarbonates used as catalysts in the sodium peroxide production of PVC.

ImpuritiesCarbon dioxide, hydrogen chloride, phosgene, and alkyl chlorides; main impurities are corresponding carbonates
Methods of ManufacturingPrepared by the reaction of liquid anhydrous alcohol /isopropyl/ with molar excess of dry, chlorine-free phosgene at low temperature /low molecular weight alkyl chlorofomates/
Formulations/Preparations · 2 Einträge

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/

General Manufacturing Information · 3 Einträge

Carbonochloridic acid, 1-methylethyl ester: ACTIVE

... PHOSGENE DERIVATIVE.

Most chloroformate production is used captively and production figures are not available.

Anwendungen

VerwendenChemical intermediate for free-radical polymerization initiators, organic synthesis.

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海伟聂化工科技有限公司13046668259 · [email protected]
聊城信立新材料有限公司18963527911 18006357927 · [email protected]

Zugehörige Reaktionen

673

Verknüpfte Notizen

Wird geladen…