ChemicalBook--->CAS DataBase List--->402-54-0

402-54-0

402-54-0 Structure

402-54-0 Structure
IdentificationMore
[Name]

4-Nitrobenzotrifluoride
[CAS]

402-54-0
[Synonyms]

4-NITRO-A,A,A-TRIFLUOROTOLUENE
4-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
4-NITROBENZOTRIFLUORIDE
P-TRIFLUOROMETHYLNITROBENZENE
TIMTEC-BB SBB008524
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
Toluene, 4-nitro-alpha,alpha,alpha-trifluoro-
4-Nitro-alpha,alpha,alpha-trifluorotoluene~4-(Trifluoromethyl)nitrobenzene
4-Nitrotrifluorotoluene
4-Nitrobenzotrifluoride,98%
4-Nitrobenzotrifluoride 98%
4-Nitro-α,α,α-trifluorotoluene-D4
[EINECS(EC#)]

206-948-3
[Molecular Formula]

C7H4F3NO2
[MDL Number]

MFCD00007358
[Molecular Weight]

191.11
[MOL File]

402-54-0.mol
Chemical PropertiesBack Directory
[Appearance]

colorless to light yellow liqui
[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
[Stability:]

Stable. Incompatible with strong bases, strong oxidizing agents, strong reducing agents.
[Exposure limits]

ACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3
[InChI]

1S/C7H4F3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H
[InChIKey]

XKYLCLMYQDFGKO-UHFFFAOYSA-N
[SMILES]

[O-][N+](=O)c1ccc(cc1)C(F)(F)F
[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]

402-54-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T+,T,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R26:Very Toxic by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin .
R21/22:Harmful in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 3431 6.1/PG 2
[WGK Germany ]

3
[Hazard Note ]

Toxic/Irritant
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29049090
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 2 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[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.
[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.
[Air & Water Reactions]

Insoluble in water.
[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.
[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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Nitrobenzotrifluoride(402-54-0).msds
Spectrum DetailBack Directory
[Spectrum Detail]

4-Nitrobenzotrifluoride(402-54-0)MS
4-Nitrobenzotrifluoride(402-54-0)1HNMR
4-Nitrobenzotrifluoride(402-54-0)13CNMR
4-Nitrobenzotrifluoride(402-54-0)IR1
4-Nitrobenzotrifluoride(402-54-0)IR2
4-Nitrobenzotrifluoride(402-54-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Nitrobenzotrifluoride, 96%(402-54-0)
[Alfa Aesar]

4-Nitrobenzotrifluoride, 98%(402-54-0)
[Sigma Aldrich]

402-54-0(sigmaaldrich)
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