4-Nitrobenzotrifluoride Chemical Properties

Melting point:

38-40 °C (lit.)

Boiling point:

81-83 °C/10 mmHg (lit.)

Density 

1.3910 (estimate)

Flash point:

191 °F

solubility 

soluble in Methanol

form 

Crystalline Powder, Crystals or Crystalline Mass

color 

White to yellow

Exposure limits

ACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3

Stability:

Stable. Incompatible with strong bases, strong oxidizing agents, strong reducing agents.

CAS DataBase Reference

402-54-0(CAS DataBase Reference)

NIST Chemistry Reference

4-Nitro-alpha,alpha,alpha-trifluorotoluene(402-54-0)

EPA Substance Registry System

Benzene, 1-nitro-4-(trifluoromethyl)- (402-54-0)

Safety Information

Hazard Codes 

T+,T,Xi

Risk Statements 

22-26-36/37/38-21/22

Safety Statements 

26-28-36/37-45-36/37/39-28A

RIDADR 

UN 3431 6.1/PG 2

WGK Germany 

3

Hazard Note 

Toxic/Irritant

HazardClass 

6.1

PackingGroup 

II

HS Code 

29049090

MSDS

• Language:English Provider:4-Nitrobenzotrifluoride
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4-Nitrobenzotrifluoride Usage And Synthesis

Chemical Properties

colorless to light yellow liqui

Synthesis Reference(s)

Synthesis, p. 932, 1980 DOI: 10.1055/s-1980-29276
Tetrahedron Letters, 32, p. 91, 1991 DOI: 10.1016/S0040-4039(00)71226-3

General Description

A thin, oily straw colored liquid with a fishlike odor. May be toxic by ingestion, inhalation and skin absorption. Insoluble in water and denser than water. Used to make other chemicals.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Organonitrate 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

Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.

Fire Hazard

Combustible material: may burn but does not ignite readily. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.

4-Nitrobenzotrifluoride(402-54-0)Related Product Information

• Benzotrifluoride
• 4-Nitrotoluene
• 3-Fluorobenzotrifluoride
• 1,4-Bis(trifluoromethyl)-benzene
• 2-Nitro-4-methylsulfonyltoluene
• 2-Nitrotoluene
• 2-Methylbenzotrifluoride
• 3-Amino-4-nitrobenzitrifluoride
• 2-CHLORO-4-NITROBENZOTRIFLUORIDE
• 2-METHYL-1-NITRO-4-(TRIFLUOROMETHYL)BENZENE
• 3-FLUORO-4-NITROBENZOTRIFLUORIDE
• 3-CHLORO-4-NITROBENZOTRIFLUORIDE
• NITROGEN DIOXIDE
• 4-Chloro-3-nitrobenzotrifluoride
• 2-Chloro-5-nitrobenzotrifluoride98%
• TRITON
• 3-FLUORO-5-NITROBENZOTRIFLUORIDE
• 2,4-Dichloro-5-nitrobenzotrifluoride98%