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4-Nitrophenyl acetate

4-Nitrophenyl acetate structure

CAS No:
830-03-5
Formula:
C8H7NO4
Chemical Name:
4-Nitrophenyl acetate
Synonyms:
Acetic acid,4-nitrophenyl ester;Acetic acid,p-nitrophenyl ester;Phenol,p-nitro-,acetate;p-Nitrophenol acetate;p-Nitrophenyl acetate;4-Nitrophenyl acetate;p-Acetoxynitrobenzene;p-Nitrobenzene acetate;NSC 2633
Categories:
Organic Chemistry > Coordination Complexes

Description

off-white or beige powder

4-nitrophenyl acetate is a phenyl acetate resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of acetic acid. It is a member of phenyl acetates and a member of nitrobenzenes. It derives from a 4-nitrophenol.

4-Nitrophenyl acetate Basic Attributes

Molecular Weight：

181.15

Exact Mass：

181.15

EC Number：

212-593-5

UNII：

I902J0QH9S

NSC Number：

2633

DSSTox ID：

DTXSID2061191

HScode：

2915390090

Characteristics

PSA：

72.1

XLogP3：

1.5

Density：

1.3±0.1 g/cm3

Melting Point：

78 °C

Boiling Point：

296.8°C at 760 mmHg

Flash Point：

145.2±24.6 °C

Refractive Index：

1.548

Water Solubility：

Insoluble in water.

Toxicity：

LD50 ivn-mus: 180 mg/kg CSLNX* NX#00217

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

11-34

safety instructions：

S24/25

RTECS Number：

AJ1150000

Marks：

F,C

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P210, P220, P221, P261, P272, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, P370+P378, P501

Hazard Statements：

H272

GHS Classification：

|Danger|H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]|P210, P220, P221, P261, P272, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, P370+P378, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

4-nitrophenyl acetate

4-Nitrophenyl acetate Use and Manufacturing

Uses

4-Nitrophenyl Acetate have been used as a substrate to study for the enzymatic activity of Carbonic Anhydrase III isolated from bovine skeletal muscle.

Manufacturing Info：

Acetic acid, 4-nitrophenyl ester: ACTIVE

Computed Properties

Molecular Weight:181.15
XLogP3:1.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:181.03750770
Monoisotopic Mass:181.03750770
Topological Polar Surface Area:72.1
Heavy Atom Count:13
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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