Product Name

  • Name

    Ethyl chloroformate

  • EINECS 208-778-5
  • CAS No. 541-41-3
  • Article Data61
  • CAS DataBase
  • Density 1.167 g/cm3
  • Solubility decomposes in water
  • Melting Point -81 °C
  • Formula C3H5ClO2
  • Boiling Point 95 °C at 760 mmHg
  • Molecular Weight 108.525
  • Flash Point 18.8 °C
  • Transport Information UN 1182 6.1/PG 1
  • Appearance Colorless to yellow liquid
  • Safety 9-16-26-28-33-36/37/39-45
  • Risk Codes 11-22-26-34
  • Molecular Structure Molecular Structure of 541-41-3 (Ethyl chloroformate)
  • Hazard Symbols FlammableF, VeryT+
  • Synonyms Formicacid, chloro-, ethyl ester (6CI,8CI);Cathyl chloride;Chlorocarbonic acidethyl ester;Chloroformic acid ethyl ester;Ethoxycarbonyl chloride;Ethylcarbonochloridate;Ethyl chloridocarbonate;Ethyl chlorocarbonate;
  • PSA 26.30000
  • LogP 1.38170

Ethyl chloroformate Consensus Reports

Reported in EPA TSCA Inventory. Community Right-To-Know List.

Ethyl chloroformate Standards and Recommendations

DOT Classification:  6.1; Label: Poison, Flammable Liquid, Corrosive

Ethyl chloroformate Specification

The Ethyl chloroformate, with the CAS registry number 541-41-3,is also known as Ethyl chlorocarbonate; Carbonchloridic acid ethyl ester. It belongs to the product categories of Pharmaceutical Intermediates;Organics. This chemical's molecular formula is C3H5ClO2 and molecular weight is 108.52.Its EINECS number is 208-778-5. What's more,Its systematic name is Ethyl chloroformate. It is a Colorless to yellow liquid which can be used as organic synthesis intermediate for the Preparation of isocyanate, pharmaceuticals, pesticides, herbicides and flotation agent. Also used as a solvent. And it decomposes slowly in water to form ethanol, HCl, and CO2. Attacks many metals especially in humid atmosphere. It may react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts.

Physical properties about Ethyl chloroformate are:
(1)ACD/LogP:  0.876; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  0.88; (4)ACD/LogD (pH 7.4):  0.88; (5)ACD/BCF (pH 5.5):  2.73; (6)ACD/BCF (pH 7.4):  2.73; (7)ACD/KOC (pH 5.5):  71.35; (8)ACD/KOC (pH 7.4):  71.35; (9)#H bond acceptors:  2; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  2; (12)Index of Refraction:  1.401; (13)Molar Refractivity:  22.572 cm3; (14)Molar Volume:  92.923 cm3; (15)Surface Tension:  28.4899997711182 dyne/cm; (16)Density:  1.168 g/cm3; (17)Flash Point:  18.833 °C; (18)Enthalpy of Vaporization:  33.465 kJ/mol; (19)Boiling Point: 94.999 °C at 760 mmHg; (20)Vapour Pressure:  46.2960014343262 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:ClC(=O)OCC;
(2)Std. InChI:InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3;
(3)Std. InChIKey:RIFGWPKJUGCATF-UHFFFAOYSA-N.

Safety Information of Ethyl chloroformate:
The Ethyl chloroformate is harmful if swallowed and very toxic by inhalation. It is highly flammable ,so the products should Keep container in a well-ventilated place and Keep away from sources of ignition. When you use it ,wear suitable protective clothing, gloves and eye/face protection,and do not breathe dust. After contact with skin, wash immediately with plenty of soap-suds.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Take precautionary measures against static discharges. In case of accident or if you feel unwell, seek medical advice immediately (showthe label whenever possible.)

The toxicity data of Ethyl chloroformate are as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 2260mg/m3/10M (2260mg/m3)   National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. NOV1942,
mouse LDLo intraperitoneal 15mg/kg (15mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 220, 1954.
rabbit LD50 skin 7120mg/kg (7120mg/kg)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
rat LC50 inhalation 840mg/m3/1H (840mg/m3) LUNGS, THORAX, OR RESPIRATION: CHANGES IN LUNG WEIGHT National Technical Information Service. Vol. OTS0555045,
rat LD50 oral 270mg/kg (270mg/kg)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.

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