4-Nitrophenyl carbonochloridate

Basic Information

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CAS Number

7693-46-1

Molecular Formula

C7H4ClNO4

Molecular Weight

201.56 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

Melting Point

77-79 °C

Boiling Point

159-162 °C/19 mmHg

Density

1.5719 (rough estimate)

Flash Point

>110°C

Solubility

Soluble in acetone, chloroform, acetone, toluene and benzene.

Refractive Index

1.6000 (estimate)

SMILES

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C1=CC(=CC=C1[N+](=O)[O-])OC(=O)Cl

InChI

InChI=1S/C7H4ClNO4/c8-7(10)13-6-3-1-5(2-4-6)9(11)12/h1-4H

InChIKey

NXLNNXIXOYSCMB-UHFFFAOYSA-N

LogP

2.85560

Complexity

207

Safety Information

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Hazard Statement

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Stability

Stable. Incompatible with strong bases, acids. Combustible.

Sensitiveness

Lachrymatory

Synonyms & References

English

p-Nitrophenyl chlorocarbonate
Chloroformic acid p-nitrophenyl ester
(4-nitrophenyl) carbonochloridate
Formic acid, chloro-, p-nitrophenyl ester
CS-W018340
4-nitrophenyl chioroformate
STR07035
Carbonochloridic acid, 4-nitrophenyl ester
SCHEMBL14520259
AKOS000121090
F0001-1970
(4-nitrophenyl)chloranuidylformate
Q-101208
AKOS024438096
NS00022773
EINECS 231-706-9
4-nitrophenyl choroformate
4-Nitrophenyl chloridocarbonate
4-nitro-phenyl carbonochloridate
4-Nitrophenyl chloroformate, purum, >=97.0% (AT)
MFCD00007321
p-Nitrophenyl chloroformate
(4-nitrophenyl)chloroformate
para-nitro-phenyl chloroformate
SCHEMBL15168
4-nitrophenyl carbono-chloridate
4-nitrophenol chloroformate
4-nitrophenoxycarbonyl chloride
p-nitrophenoxycarbonylchloride
4-nitro-phenyl chloroformate
p-nitrophenylchloroformate

MDL Number

MFCD00007321

Customs Code

29159020

FAQ

What is 4-Nitrophenyl carbonochloridate (CAS: 7693-46-1)?

4-Nitrophenyl carbonochloridate is an organic compound with the chemical formula C8H7NO2Cl. It is a chlorinated derivative of phthalic anhydride, characterized by its reactivity as an acylating agent. This compound is commonly used in chemical synthesis due to its ability to form esters and amides. Its properties include solubility in organic solvents and a characteristic aromatic structure.

What are the main uses of 4-Nitrophenyl carbonochloridate (CAS: 7693-46-1)?

4-Nitrophenyl carbonochloridate is primarily used in pharmaceuticals as an intermediate for synthesizing various drugs. It also finds applications in industrial processes, such as the production of dyes and pesticides, and in research for organic chemistry reactions. Its utility stems from its reactivity in forming ester and amide bonds, making it valuable in molecular design and functional group modification.

Is 4-Nitrophenyl carbonochloridate (CAS: 7693-46-1) safe?

4-Nitrophenyl carbonochloridate is toxic and requires careful handling. It may cause skin and respiratory irritation, and exposure should be minimized. Safety measures include using protective gloves, goggles, and ventilation. It is classified as a hazardous chemical under safety standards, necessitating adherence to OSHA and EPA guidelines for storage and disposal.

How should 4-Nitrophenyl carbonochloridate (CAS: 7693-46-1) be stored?

4-Nitrophenyl carbonochloridate should be stored in a cool, dry place away from light. It is best kept in a sealed, airtight container to prevent moisture absorption. Storage conditions should maintain temperatures below 25°C and humidity levels under 60% to ensure stability. Avoid contact with incompatible materials and keep it in a well-ventilated area.