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
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) |
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
New Products
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