4-Nitrobenzotrifluoride

4-Nitrobenzotrifluoride Basic information
Product Name:4-Nitrobenzotrifluoride
Synonyms:p-nitrotrifluorotoluene;1-Nitro-4-(trifluoromethyl)benzene;1-Nitro-4-trifluoromethyl-benzene;4-(Trifluoromethyl)nitrobenzene;Benzene, 1-nitro-4-(trifluoromethyl)-;nitrobenzotrifluorides;p-Nitro(trifluoromethyl)benzene;p-Nitrobenzotrifluoride
CAS:402-54-0
MF:C7H4F3NO2
MW:191.11
EINECS:206-948-3
Product Categories:Building Blocks;Chemical Synthesis;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks
Mol File:402-54-0.mol
4-Nitrobenzotrifluoride Structure
4-Nitrobenzotrifluoride Chemical Properties
Melting point 38-40 °C (lit.)
Boiling point 81-83 °C/10 mmHg (lit.)
density 1.3910 (estimate)
Fp 191 °F
solubility soluble in Methanol
form Crystalline Powder, Crystals or Crystalline Mass
color White to yellow
Exposure limitsACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3
Stability:Stable. Incompatible with strong bases, strong oxidizing agents, strong reducing agents.
CAS DataBase Reference402-54-0(CAS DataBase Reference)
NIST Chemistry Reference4-Nitro-alpha,alpha,alpha-trifluorotoluene(402-54-0)
EPA Substance Registry SystemBenzene, 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 Information
ProviderLanguage
4-Nitrobenzotrifluoride English
ACROS English
SigmaAldrich English
ALFA English
4-Nitrobenzotrifluoride Usage And Synthesis
Chemical Propertiescolorless 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 DescriptionA 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 ReactionsInsoluble in water.
Reactivity ProfileOrganonitrate 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 HazardHighly 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 HazardCombustible 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 Preparation Products And Raw materials
Preparation Products4-(TRIFLUOROMETHYL)DIPHENYL ETHER-->4-Fluorobenzotrifluoride
2-CHLOROBENZYL 2-NITRO-5-(TRIFLUOROMETHYL)PHENYL SULFIDE 2-METHYL-1-NITRO-4-(TRIFLUOROMETHYL)BENZENE 5-AMINO-2-FLUORO-4-NITROBENZOTRIFLUORIDE 2-CHLORO-4-NITROBENZOTRIFLUORIDE 2-AMINO-4-NITROBENZOTRIFLUORIDE 4-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE-2,3,5,6-D4 2-(BENZYLSULFANYL)-1-NITRO-4-(TRIFLUOROMETHYL)BENZENE ETHYL 2-CYANO-2-[2-NITRO-5-(TRIFLUOROMETHYL)PHENYL]ACETATE 1-BROMO-2-NITRO-4,5-DI(TRIFLUOROMETHYL)BENZENE DIMETHYL 2-[2-NITRO-5-(TRIFLUOROMETHYL)PHENYL]MALONATE 2-Nitro-4,5-bis(trifluoromethyl)benzenamine 3-Amino-4-nitrobenzitrifluoride 3-CHLORO-4-NITROBENZOTRIFLUORIDE 3,4-BIS(TRIFLUOROMETHYL)NITROBENZENE 5-AMINO-2-CHLORO-4-NITROBENZOTRIFLUORIDE 2-(((2-NITRO-5-(TRIFLUOROMETHYL)PHENYL)AMINO)METHYLENE)INDANE-1,3-DIONE 3-FLUORO-4-NITROBENZOTRIFLUORIDE 4-Nitrobenzotrifluoride

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