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p-Nitrophenetole

p-Nitrophenetole structure

CAS No:
100-29-8
Formula:
C8H9NO3
Chemical Name:
p-Nitrophenetole
Synonyms:
Benzene,1-ethoxy-4-nitro-;Phenetole,p-nitro-;1-Ethoxy-4-nitrobenzene;p-Nitrophenetole;4-Nitrophenetole;Ethyl p-nitrophenyl ether;p-Ethoxynitrobenzene;4-Ethoxynitrobenzene;4-Nitrophenyl ethyl ether;4-Ethoxy-1-nitrobenzene;p-Nitrobenzene ethyl ether;NSC 9812;Ethyl 4-nitrophenyl ether
Categories:
Chemical Reagents > Organic Reagents

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Description

brown crystalline solid

p-Nitrophenetole Basic Attributes

Molecular Weight：

167.16

Exact Mass：

167.16

EC Number：

202-837-9

UNII：

O0A69I1MCU

NSC Number：

9812

DSSTox ID：

DTXSID7026655

Color/Form：

PRISMS FROM ALCOHOL, WATER OR ETHER

HScode：

29093090

Characteristics

PSA：

XLogP3：

2.56

Appearance：

brown crystalline solid

Density：

1.1176 g/cm³ @ Temp: 100 °C

Melting Point：

60 °C

Boiling Point：

283 °C

Flash Point：

134.1±21.8 °C

Refractive Index：

1.5475 (estimate)

Water Solubility：

SLIGHTLY SOL IN WATER, ALCOHOL; SOL IN HOT PETROLEUM ETHER; VERY SOL IN HOT ALCOHOL, DIETHYL ETHER; SOL IN ALL PROPORTIONS IN ACETONE, BENZENE

Vapor Pressure：

0.00555mmHg at 25°C

Toxicity：

Oral-rat LD50: > 16000 mg/kg

Flammability characteristics：

Open flame is flammable; burning releases toxic nitrogen oxide fumes

Safety Information

safety instructions：

24/25-22

RTECS Number：

DA0600000

Marks：

Storage features：

Treasury is ventilated at low temperature and dry; stored separately from oxidants and acid food additives

Hazard note：

Irritant

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Toxicity

Toxicity class：

practically nontoxic

Water Concentrations：

PREVIOUSLY RECOMMENDED MAX PERMISSIBLE LIMITS IN DRINKING WATER APPARENTLY SHOULD BE REVISED DOWNWARD.

Drug Information

Absorption：

RADIOACTIVE LABEL FROM ETHYL-(14)C-P-NITROPHENETOLE WAS BOUND IN VITRO TO BOVINE PLASMA ALBUMIN, SALMON SPERM DNA & YEAST RNA. RAT LIVER MICROSOMAL HYDROXYLATING SYSTEM INCR EXTENT OF BINDING & MICROSOMAL FRACTIONS FROM RATS TREATED WITH 3-METHYLCHOLANTHRENE FURTHER INCR BINDING.

MeSH Entry Terms：

1-ethyl-4-nitrophenyl ether

p-Nitrophenetole Use and Manufacturing

Methods of Manufacturing

It is prepared by etherification with p-nitrochlorobenzene and ethanol with the participation of sodium hydroxide. P-nitrochlorobenzene and ethanol were added to the reaction kettle, the temperature was raised to 82°C, ethanol sodium hydroxide solution was added dropwise, and the reaction was carried out at 85-88°C for 3h. The alkalinity of the reaction solution drops below 0.9%, the temperature is lowered to 75°C, and the pH value is adjusted to 6.7-7 with concentrated hydrochloric acid. After standing for layering, take the oil layer, wash off the sodium nitrophenolate with heating water, the oil layer is subjected to vacuum distillation, and the 214-218℃ (2.66-5.32kpa) fraction is taken as the product.

Uses

Dyes and other intermediates.

Manufacturing Info：

Benzene, 1-ethoxy-4-nitro-: INACTIVE

Computed Properties

Molecular Weight:167.16
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:167.058243149
Monoisotopic Mass:167.058243149
Topological Polar Surface Area:55
Heavy Atom Count:12
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1-Chloro-4-nitrobenzene

Potassium carbonate

Ethyl bromide