4-Nitrobenzyl chloride Chemical Properties

Melting point:

71 °C

Boiling point:

112 °C (0.6 mmHg)

Density 

1.3246 (rough estimate)

refractive index 

1.5647 (estimate)

solubility 

chloroform: soluble50mg/mL, clear to very slightly hazy, faintly yellow

form 

Crystalline Needles or Powder

color 

Light yellow

BRN 

387187

Stability:

Stable. Incompatible with strong oxidizing agents, bases, amines, moisture, alcohols. Corrodes steel. Reacts slowly with water. Combustible.

CAS DataBase Reference

100-14-1(CAS DataBase Reference)

NIST Chemistry Reference

4-Nitrobenzyl chloride(100-14-1)

EPA Substance Registry System

1-(Chloromethyl)-4-nitrobenzene (100-14-1)

Safety Information

Hazard Codes 

C

Risk Statements 

22-34-36

Safety Statements 

26-36/37/39-45-27

RIDADR 

UN 3261 8/PG 2

WGK Germany 

3

RTECS 

XS9093000

F 

4.8-19-21

TSCA 

Yes

HazardClass 

8

PackingGroup 

II

HS Code 

29049090

Hazardous Substances Data

100-14-1(Hazardous Substances Data)

MSDS

• Language:English Provider:a-Chloro-4-nitrotoluene
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-Nitrobenzyl chloride Usage And Synthesis

Description

Benzene, 1-(chloromethyl)-4-nitro- is a crystalline solid. Molecular weight= 171.58; Freezing/Meltingpoint =71℃. Slightly soluble in water; slow reaction.

Chemical Properties

white to light yellow crystal powde

Chemical Properties

Benzene, 1-(chloromethyl)-4-nitro-, is a crystalline solid.

Uses

4-Nitrobenzyl chloride was used to prepare unsymmetrically N,N′-bis(substituted) 4,13-diaza-18-crown-6-ether derivatives.

Production Methods

Chlorination of 4-nitrotoluene at 190 ℃ without catalyst gives 4-Nitrobenzyl chloride. The alternative process of nitration of benzylchloride coproduces 2-nitrobenzyl chloride and requires a difficult separation stage.

Definition

ChEBI: A C-nitro compound that is nitrobenzene in which the hydrogen at position 4 is replaced by a chloromethyl group.

General Description

Solid.

Air & Water Reactions

May react slowly with water.

Reactivity Profile

Incompatible with sodium hydroxide. [EPA, 1998]. A halogenated aromatic nitro compound. Aromatic nitro compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.

Health Hazard

Poisonous if swallowed or dust is inhaled.

Fire Hazard

Incompatible with sodium hydroxide.

Potential Exposure

A chloronitrobenzene compound, used in organic synthesis.

First aid

If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medical attention.

storage

Color Code—Blue: Health Hazard/Poison: Storein a secure poison location. Store in a refrigerator or in acool, dry place and protect from prolonged exposure tomoisture.

Shipping

UN3261 Corrosive solid, acidic, organic, n.o.s., Hazard class: 8; Labels: 8—Corrosive material, Technical Name Required. UN1578 Chloronitrobenzenes, solid or liquid, Hazard Class: 6.1; Labels: 6.1—Poisonous materials.

Purification Methods

Crystallise the chloride from CCl4, dry diethyl ether, or n-heptane, and dry it under vacuum. IRRITANT.[Beilstein 5 IV 856.]

Incompatibilities

Can react with sulfuric acid. Keep away from oxidizers, amines, bases: sodium hydroxide, and potassium hydroxide; may cause fire and explosions. Incompatible with strong oxidizing and reducing agents such as hydrides, certain amines, nitrides, azo/diazo compounds, alkali metals (potassium), and epoxides. Corrodes steel, some plastics and human tissue.

4-Nitrobenzyl chloride(100-14-1)Related Product Information

• Thionyl chloride
• Potassium chloride
• tert-Butyldimethylsilyl chloride
• Calcium chloride
• Benzyl chloride
• 4-Nitrophenyl chloroformate
• 4-tert-Butylbenzyl chloride
• Ammonium chloride
• Polyvinyl chloride
• Sodium chloride
• 1-Chloro-3-nitrobenzene
• Choline chloride
• 3,4-Difluoronitrobenzene
• 4-Nitrophenol
• Methylene Chloride
• Difluorochloromethane
• 4-Chloronitrobenzene
• 2-Nitrochlorobenzene