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2,2,2-Trichloroethyl chloroformate

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Name

2,2,2-Trichloroethyl chloroformate

EINECS 241-363-7
CAS No. 17341-93-4 Density 1.666 g/cm3
PSA 26.30000 LogP 2.73200
Solubility Soluble in Ether, Benzene, Chloroform, Ethanol. Insoluble in water. Melting Point 1 °C
Formula C3H2Cl4O2 Boiling Point 171.499 °C at 760 mmHg
Molecular Weight 211.86 Flash Point 82.079 °C
Transport Information UN 3277 6.1/PG 2 Appearance Clear light yellow liquid
Safety 26-36/37/39-45-7/9 Risk Codes 23-34-36
Molecular Structure Molecular Structure of 17341-93-4 (2,2,2-Trichloroethyl chloroformate) Hazard Symbols ToxicT
Synonyms

Formicacid, chloro-, 2,2,2-trichloroethyl ester (7CI,8CI);Ethanol, 2,2,2-trichloro-,chloroformate (8CI);(Trichloroethoxy)chloroformate;Chloroformic acid 2,2,2-trichloroethyl ester;NSC 152038;Troc-Cl;b,b,b-Trichloroethoxycarbonylchloride;b,b,b-Trichloroethyl chloroformate;

 

2,2,2-Trichloroethyl chloroformate Specification

The 2,2,2-Trichloroethyl chloroformate, with the CAS registry number 17341-93-4, is also known as Formic acid, chloro-, 2,2,2-trichloroethyl ester. It belongs to the product categories of Chloroformates; Miscellaneous; Protection & Derivatization Reagents (for Synthesis); Synthetic Organic Chemistry. Its EINECS registry number is 241-363-7. This chemical's molecular formula is C3H2Cl4O2 and molecular weight is 211.86. What's more, its IUPAC name is called 2,2,2-Trichloroethyl carbonochloridate. It should be stored in a cool, dry and well-ventilated place at atmospheric temperature. This chemical is used in organic synthesis for the introduction of the trichloroethyl chloroformate protecting group for amines, thiols and alcohols. It readily cleaved vs other carbmates and can be used in an overall protecting group strategy.

Physical properties about 2,2,2-Trichloroethyl chloroformate are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 34.71; (6)ACD/BCF (pH 7.4): 34.71; (7)ACD/KOC (pH 5.5): 440.81; (8)ACD/KOC (pH 7.4): 440.81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 37.085 cm3; (15)Molar Volume: 127.125 cm3; (16)Polarizability: 14.702×10-24cm3; (17)Surface Tension: 42.771 dyne/cm; (18)Density: 1.667 g/cm3; (19)Flash Point: 82.079 °C; (20)Enthalpy of Vaporization: 40.788 kJ/mol; (21)Boiling Point: 171.499 °C at 760 mmHg; (22)Vapour Pressure: 1.394 mmHg at 25 °C.

Uses of 2,2,2-Trichloroethyl chloroformate: it is used to produce other chemicals. For example, it can react with 4-nitro-phenol to get p-Nitrophenyl-2.2.2-trichloraethylcarbonat. This reaction needs reagent triethylamine and solvent CH2Cl2 at temperature of 0-20 °C. The reaction time is 16 hours. The yield is 91 %.

2,2,2-Trichloroethyl chloroformate can react with 4-nitro-phenol to get p-Nitrophenyl-2.2.2-trichloraethylcarbonat.

When you are dealing with this chemical, you should be very careful. This chemical is toxic by inhalation and it can cause damage to health at low levels. It is irritating to eyes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. You must keep container tightly closed and in a well-ventilated place. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(Cl)(Cl)COC(Cl)=O
(2) InChI: InChI=1S/C3H2Cl4O2/c4-2(8)9-1-3(5,6)7/h1H2
(3) InChIKey: LJCZNYWLQZZIOS-UHFFFAOYSA-N

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