Benzyl 4-nitrophenyl carbonate

Basic Information

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CAS Number

13795-24-9

Molecular Formula

C14H11NO5

Molecular Weight

273.24 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

75.0 to 79.0 deg-C

Boiling Point

438.3±45.0 °C at 760 mmHg

Flash Point

196.4±30.7 °C

SMILES

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C1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO5/c16-14(19-10-11-4-2-1-3-5-11)20-13-8-6-12(7-9-13)15(17)18/h1-9H,10H2

InChIKey

QIXRWIVDBZJDGD-UHFFFAOYSA-N

LogP

3.83360

Complexity

327

Synonyms & References

English

C1591
C93419
CS-0156216
Carbonic acid, benzyl p-nitrophenyl ester
LYB2FT7YBK
13795-24-9
QIXRWIVDBZJDGD-UHFFFAOYSA-
Carbonic Acid Benzyl 4-Nitrophenyl Ester
MFCD00007323
J-007083
4-Nitrophenyl benzyl carbonate
DTXSID1065637
Benzyl p-nitrophenyl carbonate
Benzyl 4-nitrophenyl carbonate, 99%
SY112051
Benzyl 4-nitrophenyl carbonate
SCHEMBL1714950
DS-16262
(4-nitrophenyl) phenylmethyl carbonate
(4-Nitrophenyl)phenylmethyl carbonate
Carbonic acid, 4-nitrophenyl phenylmethyl ester
UNII-LYB2FT7YBK
InChI=1/C14H11NO5/c16-14(19-10-11-4-2-1-3-5-11)20-13-8-6-12(7-9-13)15(17)18/h1-9H,10H2
benzyl (4-nitrophenyl) carbonate
Benzyl (p-nitrophenyl) carbonate
NSC-171047
AKOS015889530
AKOS015840330
p-Nitrophenyl benzyl carbonate
NSC171047
NSC 171047

MDL Number

MFCD00007323

Customs Code

2920909090

FAQ

What are the physical and chemical properties of Benzyl 4-nitrophenyl carbonate (CAS: 13795-24-9)?

Benzyl 4-nitrophenyl carbonate (CAS: 13795-24-9) is a white crystalline solid with a molecular weight of approximately 284.14 g/mol. It has moderate solubility in organic solvents but is poorly soluble in water. This compound is known for its reactivity in organic synthesis, particularly in coupling reactions and as a coupling reagent in the formation of carbon-nitrogen bonds.

How is Benzyl 4-nitrophenyl carbonate (CAS: 13795-24-9) typically synthesized?

Benzyl 4-nitrophenyl carbonate (CAS: 13795-24-9) is typically synthesized via the reaction of benzoic acid and 4-nitrophenol with phosgene. The process is catalyzed by a base such as triethylamine or pyridine, and the reaction is carried out in an inert solvent like methylene chloride. The yield and selectivity of the reaction are highly dependent on the choice of catalyst and reaction conditions.

What industries use Benzyl 4-nitrophenyl carbonate (CAS: 13795-24-9)?

Benzyl 4-nitrophenyl carbonate (CAS: 13795-24-9) is primarily used in the pharmaceutical industry for the synthesis of various organic compounds, including intermediates for drug synthesis. It also finds applications in the polymer industry as a coupling agent, and in the development of sensors and semiconductors where its reactivity properties are utilized.

What precautions should be taken when handling Benzyl 4-nitrophenyl carbonate (CAS: 13795-24-9)?

When handling Benzyl 4-nitrophenyl carbonate (CAS: 13795-24-9), it is essential to use personal protective equipment (PPE) such as gloves, safety goggles, and lab coats. This compound should be stored in a cool, dry place, away from sources of heat and ignition. In case of a spill, it is important to use appropriate spill response materials and to consult the Safety Data Sheet (SDS) for detailed instructions.