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HomeProduct name list4-Nitrobenzotrifluoride

4-Nitrobenzotrifluoride

Synonym(s):4-Nitro-α,α,α-trifluorotoluene

  • CAS NO.:402-54-0
  • Empirical Formula: C7H4F3NO2
  • Molecular Weight: 191.11
  • MDL number: MFCD00007358
  • EINECS: 206-948-3
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-04-23 13:52:06
4-Nitrobenzotrifluoride Structural

What is 4-Nitrobenzotrifluoride?

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.

Properties of 4-Nitrobenzotrifluoride

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 for 4-Nitrobenzotrifluoride

Signal word Danger
Pictogram(s)
ghs
Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H330:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 4-Nitrobenzotrifluoride

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