基本信息
- 标准SMILES
CCCOC(=O)Cl- InChIKey
QQKDTTWZXHEGAQ-UHFFFAOYSA-N- 分子式
- C4H7ClO2
- 平均分子量
- 122.55 g/mol
- 单同位素质量
- 122.01345714
概述
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.
名称与标识
- 首选名称
- Propyl chloroformate
- IUPAC
- propyl carbonochloridate
- 中文名
- 氯甲酸丙酯
- 英文名
- Propyl chloroformate
- 分子式
- C4H7ClO2
- 分子量
- 122.55
名称与别名
展开更多名称
数据库标识
- CAS
109-61-5- PubChem CID
- 7998
- DTXSID
DTXSID3042342- UNII
- A5Y2T003JU
- EC Number
- 203-687-7
- Nikkaji
- J34.719A
性质
结构计算性质
- XLogP
- 2.3
- 极性表面积
- 26.3 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 3
- 重原子
- 7
- 形式电荷
- 0
- 复杂度
- 62.7
实验与物化性质
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Flammable agents - 3rd degree
Density
1.09 at 68 °F (EPA, 1998) - Denser than water; will sink
1.091 AT 20 °C/4 °C
1.09 g/cm³
Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.06
1.09 @25 °C
Solubility
MISCIBLE WITH BENZENE, CHLOROFORM, ETHER
Insoluble in water
Solubility in water: reaction
Flash Point
-58 °F (EPA, 1998)
-50 °C (-58 °F)
26 °C c.c.
Boiling Point
237 to 241 °F at 760 mmHg (EPA, 1998)
112.4 °C
115 °C
Vapor Density
4.2 (EPA, 1998) - Heavier than air; will sink (Relative to Air)
4.2 (AIR= 1)
Relative vapor density (air = 1): 4.23
Vapor Pressure
20.0 [mmHg]
20 mm Hg @ 25.3 °C
Vapor pressure, kPa at 20 °C: 2.6
物理化学性质
- 沸点
- 105 · 105-106 °C(lit.)
- 密度
- 1.09 g/mL · 1.09 g/mL at 25 °C(lit.)
- 蒸气压
- 0.87 psi · 0.87 psi ( 20 °C)
- 折射率
- 20 · n20/D 1.404(lit.)
- 闪点
- 84 °F · 84 °F
- 储存条件
- 2 · 2-8°C
- 溶解度
- benzene: miscible(lit.)
- 形态
- Oil
- 颜色
- Colourless
- 比重
- 1.09 · 1.09
- Merck
- 13 · 13,7940
- 介电常数
- 11.2 · 11.2(20℃)
- 稳定性
- Volatile
- InChIKey
- QQKDTTWZXHEGAQ-UHFFFAOYSA-N
- LogP
- 1.385 · 1.385 (est)
- CAS 数据库
- 109 · 109-61-5(CAS DataBase Reference)
- NIST化学物质信息
- n-Propylchloroformate(109-61-5)
- EPA化学物质信息
- Propyl chloroformate (109-61-5)
化学性质
液体。 能与苯、乙醚混溶。
安全与法规
GHS分类
GHS Classification
Danger
H225: 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)
Danger
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)
危害信息
Regulatory Information
Status: Active Update: 05-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/1891
Carbonochloridic 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.)
Fire Hazards
When heated to decomposition, it emits toxic fumes of chlorine containing compounds. Propyl chloroformate is a flammable/combustible material; it 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.
Health Hazards
Strongly irritating to eyes and mucous membranes. Poisonous; may be fatal if inhaled, swallowed or absorbed through skin. (EPA, 1998)
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
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].
安全与防护
Fire Fighting
Keep unnecessary people away; isolate hazard area and deny entry. Stay upwind; keep 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.
First Aid Measures
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 .
Accidental Release Measures
· 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
Warning: Propyl chloroformate is strongly irritating to eyes and mucous membranes. Caution is advised.
General First Aid:
Exposure Control and Personal Protection
· 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].
Fire Fighting Procedures
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.
Spillage Disposal
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 measure
Small spill:
Small spill:
毒理信息
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.
法规信息
CERCLA Reportable Quantities
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 chloroformate
1.00
10,000
Flammable chemical that can be released at a facility.
安全数据
- wgk
- 1
- tsca
- TSCA listed
- 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.
- RTECS号
- LQ6830000
- 包装类别
- I
- 危险等级
- 6.1
- 安全说明
- 26-36-45-16
- 海关编码
- 29151300
- 危险品标志
- T,F
- 危险类别码
- 10-23-34-22-11
- 毒害物质数据
- 109-61-5(Hazardous Substances Data)
- 危险品运输编号
- UN 2740
毒性防护
急性毒性口服-小鼠 LD50: 650 毫克/公斤
包装储运
可燃性危险特性可燃; 遇水, 或受热放出有毒氯化氢气体
储运特性库房通风低温干燥; 与氧化剂, 碱类, 食品分开储运
灭火剂干粉, 砂土, 泡沫, 二氧化碳
化学与工业
用途与制造
Uses
Used in organic synthesis; [CAMEO] Used as a military poison gas (lachrymator); [Hawley] Used as a reactive intermediate to polymerization initiators and other chemicals; [HSDB]
Reactive intermediate to polymerization initiators and other chemicals
Formulations/Preparations
Typical specifications of commercial chloroformates: purity, 98%; phosgene, <0.1%, iron, <10 ppm; acidity as HCl, <0.1%; alcohol or phenol, <2% /chloroformic esters/
Commercial products have concentrations of 97-99 wt% /chloroformic esters/
General Manufacturing Information
Carbonochloridic acid, propyl ester: ACTIVE
Most chloroformate production is used captively and production figures are not available.
应用领域
应用氯甲酸丙酯可用于光敏剂、聚合催化剂、杀菌剂等产品的合成;还可与烯基树脂的液体发泡剂反应,用于制备浅色乙烯基泡沫塑料。氯甲酸丙酯与塑胶混溶性好,分解产物无色、无毒、无污染、无臭味,在40~120℃范围内可获得高发气量,应用前景广阔。
用途用作浮选剂及有机合成试剂
用途氯甲酸正丙酯是杀菌剂霜霉威的中间体。
制备方法
生产方法其制备方法是在通光气釜内加入正丙醇,启动搅拌,然后通过光气流量计通入光气,通光气温度为30℃左右,继续通光气若干小时,接近终点时取样分析,达标后停止通光气,冷却,然后通氮气赶走光气和氯化氢,对光气进行破坏,取样分析为产品。反应方程式:CH3CH2CH2OH+COCl2→ClCOOCH2CH2CH3
上下游产品信息
上游原料
试剂价格
- C0929 · 25ML
- 氯甲酸丙酯Propyl Chloroformate — 290元
- C0929 · 100mL
- 氯甲酸丙酯Propyl Chloroformate — 660元
供应商50 家
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