ChemicalBook--->CAS DataBase List--->2114-18-3

2114-18-3

2114-18-3 Structure

2114-18-3 Structure
IdentificationMore
[Name]

2-Chloroethyl carbamate
[CAS]

2114-18-3
[Synonyms]

2-CHLOROETHYL CARBAMATE
B-CHLOROETHYL CARBAMATE
BETA-CHLOROETHYL CARBAMATE
BETA-CHLOROETHYLURETHANE
Carbamic acid, beta-chloroethyl ester
carbamicacid,2-chloroethylester
carbamicacid,beta-chloroethylester
Chloroethyl carbamate
Ethanol, 2-chloro-, carbamate
2-CHLOROETHYL CARBAMATE 97%
[EINECS(EC#)]

218-310-1
[Molecular Formula]

C3H6ClNO2
[MDL Number]

MFCD00025467
[Molecular Weight]

123.54
[MOL File]

2114-18-3.mol
Questions And AnswerBack Directory
[Synthesis]

Using chloroethanol and a carbamylated reagent as raw materials, 2-chloroethylcarbamate is produced in a one-step reaction in the presence of a catalyst. The specific process is as follows:
In a 1000ml four-necked round-bottom flask equipped with a reflux condenser and an electric stirrer, 563.5g (7mol) of chloroethanol is added, the stirring is started, and the temperature is raised. When the temperature reaches 90℃, 307.5g of urea nitrate (2.5mol) and 172.5g of sodium nitrite (1mol) are added. The reaction is carried out between 80-125℃ for 4 hours. Excess chloroethanol is distilled off, and 500ml of diethyl ether is added to the residue. After thorough stirring, the mixture is filtered, and the diethyl ether is distilled off. 2-chloroethylcarbamate is then distilled off under reduced pressure, yielding 90g, with a yield of 30%.


Synthesis of 2114-18-3

[Uses]

2-Chloroethylcarbamate, also known as chloroethyl carbamate, is a synthetic intermediate of carbachol. Carbachol is a complete cholinergic drug, which is significantly effective in treating glaucoma and postpartum abdominal distension and urinary retention.
Chemical PropertiesBack Directory
[Melting point ]

74-77 °C(lit.)
[Boiling point ]

264.3±23.0 °C(Predicted)
[density ]

1.2776 (rough estimate)
[refractive index ]

1.5000 (estimate)
[pka]

13.18±0.50(Predicted)
[InChI]

InChI=1S/C3H6ClNO2/c4-1-2-7-3(5)6/h1-2H2,(H2,5,6)
[InChIKey]

LIJLYNWYKULUHA-UHFFFAOYSA-N
[SMILES]

C(OC(=O)N)CCl
[CAS DataBase Reference]

2114-18-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Carbamic acid, 2-chloroethyl ester(2114-18-3)
[EPA Substance Registry System]

2-Chloroethyl carbamate (2114-18-3)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[WGK Germany ]

3
[RTECS ]

EZ1475000
[TSCA ]

TSCA listed
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