541-41-3

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

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

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: