O-(4-Chlorophenyl) carbonochloridothioate

Basic Information

View in Editor

CAS Number

937-64-4

Molecular Formula

C7H4Cl2OS

Molecular Weight

207.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

131°C/18mmHg

Density

1.389 g/mL at 25 °C

Flash Point

>230 °F

Refractive Index

n20/D 1.6(lit.)

Vapor Pressure

0.0±0.5 mmHg at 25°C

SMILES

View in Editor

C1=CC(=CC=C1OC(=S)Cl)Cl

InChI

InChI=1S/C7H4Cl2OS/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H

InChIKey

BQIABQCJXBELMT-UHFFFAOYSA-N

LogP

3.2425000000000006

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

143

Safety Information

View Safety Information

Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

chlorothio-formicacid-O-(4-chlorophenyl)-ester
THIOFORMIC ACID,CHLORO,(4-CHLOROPHENYL) ESTER
InChI=1/C7H4Cl2OS/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4
4-Chlorophenyl chlorothionoformate
T71479
DTXSID00239550
AKOS000216110
4-Chlorophenyl Chlorothioformate
MFCD00014465
chloro-thioformic acid (4-chloro-phenyl)ester
chloro-thioformic acid(4-chloro-phenyl)ester
4-chlorophenyl chloromethanethioate
O-(4-chlorophenyl) chloridothiocarbonate
O-(4-Chlorophenyl) chlorothioformate
EINECS 213-334-9
O-4-chlorophenyl carbonochloridothioate
Chlorothioformic Acid O-(4-Chlorophenyl) Ester
4-CHLOROPHENYLCHLOROTHIONOFORMATE
SCHEMBL1462548
O-(4-chlorophenyl) chloromethanethioate
FT-0618245
NS00039592
937-64-4
O-p-Chlorophenyl chlorothioformate
carbonochloridothioic acid, O-(4-chlorophenyl) ester
4-chlorophenyl chlorothionoformate
O-(4-Chlorophenyl chlorothioformate)
BQIABQCJXBELMT-UHFFFAOYSA-N
O-4

MDL Number

MFCD00014465

Customs Code

2930909090

FAQ

What are the physical and chemical properties of O-(4-Chlorophenyl) carbonochloridothioate (CAS: 937-64-4)?

O-(4-Chlorophenyl) carbonochloridothioate (CAS: 937-64-4) is a crystalline compound with a molecular weight of approximately 227.56 g/mol. It has a low solubility in water but is more soluble in organic solvents. This compound is known for its reactivity, particularly in nucleophilic substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from moisture and strong acids.

How is O-(4-Chlorophenyl) carbonochloridothioate (CAS: 937-64-4) typically synthesized?

O-(4-Chlorophenyl) carbonochloridothioate (CAS: 937-64-4) is typically synthesized through a nucleophilic substitution reaction of 4-chlorophenyl isothiocyanate with carbon tetrachloride in the presence of a base like triethylamine. The reaction is carried out in a solvent like dichloromethane, yielding the compound with a high yield and good selectivity under mild conditions.

What industries use O-(4-Chlorophenyl) carbonochloridothioate (CAS: 937-64-4)?

O-(4-Chlorophenyl) carbonochloridothioate (CAS: 937-64-4) is primarily used in the pharmaceutical industry for the synthesis of certain drugs, and it also finds applications in the manufacturing of certain polymers and sensors. It is less common in semiconductor applications but can be used in specialized cases where its unique reactivity is required.

What precautions should be taken when handling O-(4-Chlorophenyl) carbonochloridothioate (CAS: 937-64-4)?

When handling O-(4-Chlorophenyl) carbonochloridothioate (CAS: 937-64-4), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood due to its volatility and potential for inhalation. In case of a spill, it should be carefully cleaned up using appropriate methods, and the area should be well-ventilated. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.