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HCID 7917作成日：2026年10月27日

クロロぎ酸イソプロピル

クロロぎ酸イソプロピル · クロリド炭酸イソプロピル · クロロ炭酸イソプロピル · 含塩素炭酸イソプロピル · イソプロピルクロロフォ-メ-ト · クロロギ酸イソプロピル 塩化物 · 含素炭酸イソプロピル · クロロぎ酸イソプロピル (約30%トルエン溶液, 約2mol/L)

https://huagongshe.com/ja/chemical/7917

クロロぎ酸イソプロピル の分子構造式

識別子と物理属性

CAS No.108-23-6
分子式C4H7ClO2
平均分子量122.55 g/mol
単同位体質量122.01345714 g/mol
SMILESCC(C)OC(=O)Cl
InChIKeyIVRIRQXJSNCSPQ-UHFFFAOYSA-N
PubChem CID7917
EC No.203-563-2
DTXSIDDTXSID7026786
現地名クロロぎ酸イソプロピル

化学・物理的性質

XLogP2
極性表面積26.3
水素結合供与体数0
水素結合受容体数2
回転可能結合数2
重原子数7
形式電荷0
複雑度70.1
物質分類Toxic Gases & Vapors -> Acid HalidesCorrosives
SpringerMaterials PropertiesBoiling point
臭いPungent
密度1.08 (EPA, 1998) - Denser than waterwill sink1.078 (20 °C/4 °C)Relative density (water = 1): 1.081.078 @25 °C0.892 g/mL at 25 °C
Viscosity0.65 cP @ 20 °C
Color/FormCOLORLESS LIQ
溶解度VERY SOL IN ETHERSolubility in water: slow reactionChloroform (Sparingly), Dichloromethane (Soluble), Ethyl Acetate (Slightly), Tol
引火点60.1 °F (EPA, 1998)15.6 °C20 °C c.c.43 °F
沸点220 °F at 761 mmHg (EPA, 1998)104.6 °C @ 761 MM HG105 °C @760 [mm Hg]
融点-80 °C
蒸気密度4.2 (EPA, 1998) - Heavier than airwill sink (Relative to Air)4.2 (AIR= 1)Relative vapor density (air = 1): 4.2
蒸気圧100 mm Hg @ 47 °CVapor pressure, kPa at 20 °C: 372 [mm Hg] @21 °C27.998hPa at 20℃
屈折率n20/D 1.485(lit.)
貯蔵条件2-8°C
外観・状態liquid
BRN506416
ヘンリー定数2.4×10-3 mol/(m3Pa) at 25℃, HSDB (2015)
安定性Moisture Sensitive
InChIInChI=1S/C4H7ClO2/c1-3(2)7-4(5)6/h3H,1-2H3
InChIKeyIVRIRQXJSNCSPQ-UHFFFAOYSA-N
SMILESC(Cl)(OC(C)C)=O
CAS データベース108-23-6(CAS DataBase Reference)
EPAの化学物質情報Isopropyl chloroformate (108-23-6)

化学的特性

Isopropyl chloroformate is a colorless liquid with corrosive properties and a pungent odor. generally present as 1.0 mol/L toluene solution of isopropyl chloroformate. It is a highly flammable chemical. Isopropyl chloroformate decomposes when heated, producing toxic and corrosive fumes, including hydrogen chloride and phosgene. The chemical reacts with water to produce alcohol and hydrogen chloride. Hydrolysis would yield chloroformic acid, which is considered a strong acid.

安全性と法規制

GHS 分類DangerH225 (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.H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
Hazards IdentificationToxic/poison by inhalation (TIH/PIH)
規制情報Chemical: Carbonochloridic acid, 1-methylethyl esterStatus: Active Update: 01-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/13188The 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.)
その他の安全情報Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
輸送ラベル（DOT）Poison Inhalation Hazard Flammable Liquid Corrosive
火災危険Extremely dangerousthis 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.
健康有害性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 CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

用途

用途

殺虫剤の反応中間体、動物用医薬品、重合開始剤

使用

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

一般的な説明

A clear colorless volatile liquid with a pungent irritating odor. About the same density as water and insoluble in water. Floats on water Flash point 75°F. Very irritating to skin and eyes and very toxic by inhalation, ingestion and skin absorption. Used to make other chemicals.

製法・合成法

調製方法

Prepared by the reaction of liquid anhydrous isopropyl alcohol with molar excess of dry, chlorine-free phosgene at low temperature.

有害性の概要A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation can cause pulmonary edemaCauses watering of the eyes. [ICSC] A skin, eye, and respiratory tract irritantMay cause pulmonary edema[HSDB] See CHLOROFORMATES.
輸送番号・ガイド（DOT）2407 155
反応性グループAcyl Halides, Sulfonyl Halides, and Chloroformates
UN 分類UN Hazard Class: 6.1UN Subsidiary Risks: 3 and 8UN Pack Group: I
Reactivity AlertsHighly Flammable
Reactivity ProfileISOPROPYL CHLOROFORMATE is water reactive. A sample stored in a refrigerator exploded [Wischmeyer 1973]. Attacks many metals especially in humid atmosphere [Handling Chemicals Safely, 1980. p. 476]. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
消火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.
応急処置措置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 .
漏出応急措置· 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.
応急処置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:
安全保管Fireproof. Separated from strong oxidants and food and feedstuffs. Dry. Well closed.
暴露管理・個人防護· 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].
消火手順If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Use "alcohol" foam, dry chemical or carbon dioxide. Keep run-off water out of sewers and water sources.
非火災時の漏出対応Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
漏出処分Personal protection: chemical protection suit including self-contained breathing apparatus. Ventilation. Remove all ignition sources. Do NOT wash away into sewer. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Preventive MeasuresIf material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.Personnel protection: Avoid breathing vapors. Keep upwind. Wear positive pressure self-contained breathing apparatus. Wear appropriate chemical protective clothing. Do not handle broken packages unless wearing appropriate personal protective equipment. If contact with the material anticipated, wear appropriate chemical protective clothing.Evacuation: If material leaking (not on fire) consider evacuation from downwind area based on amount of material spilled, location and weather conditions.SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protectionequipment should be worn even when contact lenses are in place.
Isolation and EvacuationExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:Immediate precautionary measureSmall spill:
Eye PreventionWear safety goggles, face shield or eye protection in combination with breathing protection.
環境中動態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).
有害作用Dermatotoxin - Skin burns.
暴露経路The substance can be absorbed into the body by inhalation of its vapour and by ingestion.
Signs and SymptomsBurning 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/MobilityUsing 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).
Human Toxicity Excerpts... CAN PRODUCE DELAYED PULMONARY EDEMA SIMILAR TO THAT PRODUCED BY PHOSGENE.EYE IRRITATION, IRRITATION OF UPPER RESP TRACT, & SURFACE BURNS HAVE BEEN PRINCIPAL FINDINGS IN EXPOSED HUMANS. ... EYE IRRITATION MAY PERSIST SOME TIME AFTER EXPOSURE CEASES. SKIN SENSITIZATION MAY OCCUR. /CHLOROFORMATES/TOXIC BY INHALATION.SUMMARY TOXICITY STATEMENT: HIGH IRRITANT VIA INHALATION. HIGH= CAPABLE OF CAUSING DEATH OR PERMANENT INJURY DUE TO EXPOSURES OF NORMAL USEINCAPACITATING & POISONOUSREQUIRES SPECIAL HANDLING.SUMMARY TOXICITY STATEMENT: MODERATE VIA ORAL ROUTES. MODERATE= MAY CAUSE REVERSIBLE OR IRREVERSIBLE CHANGES TO EXPOSED TISSUE, NOT PERMANENT INJURY OR DEATHCAN CAUSE CONSIDERABLE DISCOMFORT.
Artificial Pollution SourcesIsopropyl chlorocarbonate's use as a chemical intermediate in the production of herbicides and other chemicals(1) could release the compound to the environment through various waste streams generated at sites of production and use(SRC).
Environmental BiodegradationUsing the Japanese MITI protocol (4 week incubation period with activated sludge inoculum), ethyl chloroformate (a compound similar in structure to isopropyl chlorocarbonate) was classified as biodegradable with a theoretical BOD of 81-86%(1) but this probably refers to the hydrolysis product(SRC).
Environmental BioconcentrationIsopropyl chlorocarbonate hydrolyzes readily in water (half-life of 5.6 min at 24.5 °C)(1)therefore, bioconcentration in aquatic organisms will not be an important process(SRC).
Volatilization from Water/SoilThe Henry's Law constant for isopropyl chlorocarbonate can be estimated to be 4.15X10-3 atm-cu m/mole using a structure estimation method(1,SRC)this value of Henry's Law constant indicates that volatilization from water is potentially an important fate process(2). However, isopropyl chlorocarbonate hydrolyzes readily in water (half-life of 5.6 min at 24.5 °C)(3)therefore, volatilization from water is not expected to be important(SRC). The low-boiling chloroformic esters, such as isopropyl chlorocarbonate, are highly volatile(4)therefore, evaporation from dry surfaces will occur(SRC).
Non-Human Toxicity ExcerptsINHALATION OF 122,000 PPM...BY RATS CAUSED IMMEDIATE FATALITIES WITH PULMONARY EDEMA. INHALATION OF 6450 PPM CAUSED DEATH OF ALL RATS IN ABOUT 50 MIN, WITH RESP DISTRESS, PROSTRATION, & CONVULSIONS.Direct dropwise application to the guinea pig skin causes deep necrosis and eschar formation, and direct contact with the rabbit eye causes permanent corneal opacity.
CERCLA 報告数量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)Isopropyl chloroformate1.0015,000Toxic chemical that can be released at a facility.
F10-19
水環境危害等級（WGK）2
TSCA 収載状態TSCA listed
RTECS 番号LQ6475000
輸送番号（UN）UN 2407
税関コード29159000
危険文句（R）11-34-48/20-63-65-67-43-26
化審法(2)-1144, (2)-1704
安衛法有機則 第二種有機溶剤等
消防法危-4-1-II
危険表示F,C,T+
安全措置（S）26-36/37/39-45-62-28-16
危険等級6.1Acute Tox. 1 InhalationAquatic Chronic 3Asp. Tox. 1Eye Dam. 1Flam. Liq. 2Repr. 2Skin Corr. 1BSkin Sens. 1STOT RE 2STOT SE 3
包装等級I
貯蔵分類3 - Flammable liquids
有害物質データ108-23-6(Hazardous Substances Data)