4-Chlorophenyl carbonochloridate

Basic Information

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CAS Number

7693-45-0

Molecular Formula

C7H4Cl2O2

Molecular Weight

191.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

102°C/12mmHg

Density

1.365 g/mL at 25 °C

Solubility

It is soluble in organic solvents.

Refractive Index

n20/D 1.533(lit.)

SMILES

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C1=CC(=CC=C1OC(=O)Cl)Cl

InChI

InChI=1S/C7H4Cl2O2/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H

InChIKey

RYWGPCLTVXMMHO-UHFFFAOYSA-N

LogP

3.0776000000000003

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

141

Safety Information

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Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

H302 Harmful if swallowed
Acute toxicity, oral

H313 May be harmful in contact with skin
Acute toxicity, dermal

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

H330 Fatal if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Moisture Sensitive

Synonyms & References

English

4-Chlorophenyl chloridocarbonate #
(4-chlorophenyl) carbonochloridate
p-Chlorophenyl chloroformate
Chloroformic Acid 4-Chlorophenyl Ester
4-Chlorophenyl chloroformate
4-Chlorophenyl carbonochloridate
SCHEMBL59462
DTXSID60227716
4-Chlorophenyl chloridocarbonate
AKOS024438095
4-CHLOROPHENYLCHLOROFORMATE
C2545
FT-0636569
4-(chloro)phenyl chloroformate
carbonochloridic acid, 4-chlorophenyl ester
FORMIC ACID,CHLORO,(4-CHLOROPHENYL) ESTER
4-Chlorophenyl chloroformate, 98%
InChI=1/C7H4Cl2O2/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4
4-chloro-phenyl chloroformate
AKOS015891076
EN300-270971
STR07909
MFCD00000638
4-Chlorophenyl carbonochloridate; 4-Chlorophenyl chloroformate
7693-45-0
Carbonochloridic acid,4-chlorophenyl ester
RYWGPCLTVXMMHO-UHFFFAOYSA-N
KSC493G4J
(4-chlorophenyl) chloroformate
4-C

MDL Number

MFCD00000638

Customs Code

2915900090

FAQ

What are the physical and chemical properties of 4-Chlorophenyl carbonochloridate (CAS: 7693-45-0)?

4-Chlorophenyl carbonochloridate (CAS: 7693-45-0) is a white crystalline solid with a molecular weight of approximately 194.57 g/mol. It is slightly soluble in water but has good solubility in organic solvents like ethanol and acetone. The compound is highly reactive and prone to hydrolysis under basic conditions. It exhibits low toxicity but can cause irritation upon contact with skin or eyes.

How is 4-Chlorophenyl carbonochloridate (CAS: 7693-45-0) typically synthesized?

4-Chlorophenyl carbonochloridate (CAS: 7693-45-0) is typically synthesized by reacting 4-chlorophenol with phosgene in the presence of a suitable catalyst, such as pyridine, at a controlled temperature to achieve high yield and selectivity. The reaction is exothermic and requires careful monitoring to prevent decomposition.

What industries use 4-Chlorophenyl carbonochloridate (CAS: 7693-45-0)?

4-Chlorophenyl carbonochloridate (CAS: 7693-45-0) is used in various industries, particularly in the production of herbicides, pharmaceutical intermediates, and organic synthesis. It serves as a key intermediate in the synthesis of several important organic compounds and is also utilized in the development of sensors and materials science applications.

What precautions should be taken when handling 4-Chlorophenyl carbonochloridate (CAS: 7693-45-0)?

When handling 4-Chlorophenyl carbonochloridate (CAS: 7693-45-0), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood due to its volatility and reactivity. Proper storage in a cool, dry place away from moisture and heat sources is required. In case of spills, immediate action should be taken in accordance with the Material Safety Data Sheet (MSDS) guidelines.