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Propyl chloroformate
クロロぎ酸プロピル · プロピル=クロロホルマート · クロロ炭酸n-プロピル · クロリド炭酸プロピル · nプロピルクロロフォーメート · クロロギ酸プロピル 塩化物 · クロロ炭酸プロピル · クロロぎ酸ノルマルプロピル
識別子と物理属性
| CAS No. | 109-61-5 |
|---|---|
| 分子式 | C4H7ClO2 |
| 平均分子量 | 122.55 g/mol |
| 単同位体質量 | 122.01345714 g/mol |
| SMILES | CCCOC(=O)Cl |
| InChIKey | QQKDTTWZXHEGAQ-UHFFFAOYSA-N |
| PubChem CID | 7998 |
| EC No. | 203-687-7 |
| DTXSID | DTXSID3042342 |
| 現地名 | クロロぎ酸プロピル |
化学・物理的性質
| XLogP | 2.3 |
|---|---|
| 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 | 3 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 62.7 |
| 物質分類 | Toxic Gases & Vapors -> Acid HalidesFlammable agents - 3rd degree |
| SpringerMaterials Properties | Dielectric constant |
| LogP（分配係数） | 1.12 |
| 密度 | 1.09 at 68 °F (EPA, 1998) - Denser than waterwill sink1.091 AT 20 °C/4 °C1.09 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.061.09 @25 °C1.09 g/mL at 25 °C(lit.) |
| Viscosity | 0.80 cP @ 20 °C |
| Color/Form | COLORLESS LIQUID |
| 溶解度 | MISCIBLE WITH BENZENE, CHLOROFORM, ETHERInsoluble in waterSolubility in water: reactionベンゼン：混和性（点灯） |
| 引火点 | -58 °F (EPA, 1998)-50 °C (-58 °F)26 °C c.c.84 °F |
| 沸点 | 237 to 241 °F at 760 mmHg (EPA, 1998)112.4 °C115 °C105-106 °C(lit.) |
| 蒸気密度 | 4.2 (EPA, 1998) - Heavier than airwill sink (Relative to Air)4.2 (AIR= 1)Relative vapor density (air = 1): 4.23 |
| 蒸気圧 | 20.0 [mmHg]20 mm Hg @ 25.3 °CVapor pressure, kPa at 20 °C: 2.60.87 psi ( 20 °C) |
| 屈折率 | INDEX OF REFRACTION: 1.4045 @ 20 °Cn20/D 1.404(lit.) |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | 油 |
| 色 | 無色 |
| 比重 | 1.09 |
| Merck | 13,7940 |
| 誘電率 | 11.2(20℃) |
| 安定性 | 揮発性 |
| InChIKey | QQKDTTWZXHEGAQ-UHFFFAOYSA-N |
| LogP（分配係数） | 1.385 (est) |
| CAS データベース | 109-61-5(CAS DataBase Reference) |
| NISTの化学物質情報 | n-Propylchloroformate(109-61-5) |
| EPAの化学物質情報 | Propyl chloroformate (109-61-5) |
化学的特性
Propyl Chloroformate (PCF) is a colorless to yellow liquid, with a pungent odor. It reacts with water and spontaneous decomposes. It is miscible with benzene and ether.
安全性と法規制
| GHS 分類 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Hazards Identification | Toxic/poison by inhalation (TIH/PIH) |
| 規制情報 | Status: Active Update: 05-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/1891Carbonochloridic acid, propyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.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.) |
| 輸送ラベル（DOT） | Poison Inhalation Hazard Flammable Liquid Corrosive |
| 火災危険 | When heated to decomposition, it emits toxic fumes of chlorine containing compounds. Propyl chloroformate is a flammable/combustible materialit may be ignited by heat, sparks or flames. Vapors may travel to a source of ignition and flash back. Container may explode in heat or fire. Vapor explosion and poison hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Runoff from fire control or dilution water may cause pollution. Gradually decomposed by water and alcohol. Unstable, decomposes spontaneously to form hydrochloric acid and other products. Avoid moist air. (EPA, 1998)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 26 °C explosive vapour/air mixtures may be formed. |
| 健康有害性 | Strongly irritating to eyes and mucous membranes. Poisonousmay be fatal if inhaled, swallowed or absorbed through skin. (EPA, 1998)· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. |
| 有害性の概要 | A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation can cause pulmonary edema[ICSC] A strong eye and mucous membrane irritant[HSDB] See CHLOROFORMATES. |
| 輸送番号・ガイド（DOT） | 2740 155 |
| 反応性グループ | Acyl Halides, Sulfonyl Halides, and Chloroformates |
| EC 分類 | Symbol: TR: 10-23-34S: (1/2)-26-36-45 |
| UN 分類 | UN Hazard Class: 6.1UN Subsidiary Risks: 3 and 8UN Pack Group: I |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | Unstable, decomposes spontaneously to form hydrochloric acid and other products. Avoid moist air. [EPA, 1998]. 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 | Keep unnecessary people awayisolate hazard area and deny entry. Stay upwindkeep out of low areas. Wear positive pressure breathing apparatus and special protective clothing. Isolate for 1/2 mile in all directions if tank car or truck is involved in fire.NO water. Use dry powder, carbon dioxide, alcohol-resistant foam. 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. Give one or two glasses of water to drink. 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: Propyl chloroformate is strongly irritating to eyes and mucous membranes. Caution is advised.General First Aid: |
| 安全保管 | Fireproof. Provision to contain effluent from fire extinguishing. Separated from acids, alcohols, amines, bases, oxidants and food and feedstuffs. Dry. Well closed. Store in an area without drain or sewer access. |
| 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. Apply water from as far a distance as possible. Use "alcohol" foam, carbon dioxide or dry chemical. Keep run-off water out of sewers and water sources. |
| 保管条件 | OWING TO THE FACT THAT THESE COMPOUNDS DECOMP EASILY, STORAGE CONTAINERS SHOULD BE VENTED. /CHLOROFORMATES/ |
| 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 | Evacuate danger area! Consult an expert! Personal protection: chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable dry plastic containers as far as possible. Absorb remaining liquid in dry sand or inert absorbent. Then store and dispose of according to local regulations. |
| Preventive Measures | 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 protection equipment should be worn even when contact lenses are in place. |
| Isolation and Evacuation | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:Immediate precautionary measureSmall spill: |
| 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 Symptoms | Sore throat. Burning sensation. Cough. Laboured breathing. Shortness of breath. Symptoms may be delayed.Redness. Pain. Skin burns.Redness. Pain. Severe deep burns.Abdominal pain. Burning sensation. Shock or collapse. |
| ICSC Environmental Data | The substance is toxic to aquatic organisms. |
| Human Toxicity Excerpts | THE VAPORS ARE STRONGLY IRRITATING TO THE EYES & MUCOUS MEMBRANES. |
| Toxicity Data | LC50 (mice) = 319 ppm/1h |
| 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. Propyl chloroformate is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 500 lbs. |
| DHS Chemicals of Interest (COI) | Propyl chloroformate1.0010,000Flammable chemical that can be released at a facility. |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | LQ6830000 |
| 輸送番号（UN） | UN 2740 |
| 毒性 | mouse,LC50,inhalation,319ppm/1H (319ppm),"Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 4, Pg. 758, 1978. |
| 税関コード | 29151300 |
| 危険文句（R） | 10-23-34-22-11 |
| 化審法 | (2)-1704 |
| 消防法 | 危-4-2-III |
| 危険表示 | T,F |
| 安全措置（S） | 26-36-45-16 |
| 危険等級 | 6.1 |
| 包装等級 | I |
| 毒劇物取締法 | 劇物 |
| 有害物質データ | 109-61-5(Hazardous Substances Data) |
用途
用途
有機合成原料。
使用
Propyl Chloroformate is used as a dramatizing agent for the determination of morphine, codeine and 6-acetyl morphine in urine and blood using direct aqueous derivatization.
一般的な説明
N-propyl chloroformate appears as a colorless liquid. May be decomposed by water. Severely irritates skin and eyes. Very toxic by ingestion, inhalation or skin absorption. Denser than water and vapors heavier than air. Flash point 50°F. Used to make other chemicals.
製法・合成法
製造方法
Synthesis of Propyl chloroformate: Add n-propanol to the phosgene-passing kettle, start stirring, and then pass phosgene through the phosgene flowmeter. The phosgene-passing temperature is about 30 °C, and continue to pass the phosgene for several hours. When the end point is approached, sample and analyze, and stop when the standard is reached. Pass phosgene, cool, and then pass nitrogen to drive away phosgene and hydrogen chloride, destroy phosgene, and sample and analyze it as a product. Reaction equation: CH3CH2CH2OH+COCl2→ClCOOCH2CH2CH3
調製方法
Prepared by the reaction of liquid anhydrous n-propyl alcohol with molar excess of dry, chlorine-free phosgene at low temperature.