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Merck
CN

211788

Sigma-Aldrich

4-Nitrobenzotrifluoride

98%

Synonym(s):

4-Nitro-α,α,α-trifluorotoluene

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About This Item

Linear Formula:
O2NC6H4CF3
CAS Number:
402-54-0
Molecular Weight:
191.11
EC Number:
206-948-3
MDL number:
MFCD00007358
UNSPSC Code:
12352100
PubChem Substance ID:
24852709

Key Documents

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Assay

98%

form

solid

bp

81-83 °C/10 mmHg (lit.)

mp

38-40 °C (lit.)

functional group

fluoro
nitro

SMILES string

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

InChI

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

InChI key

XKYLCLMYQDFGKO-UHFFFAOYSA-N

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H302,H315,H319,H330,H335

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

190.4 °F - closed cup

Flash Point(C)

88 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
14616CG
14003BS
07530KQ
17812JA
09602MR

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Aromatic Compounds with Fluorinated Side Chains.
Fialkov YA and Yagupolski LM.
Syntheses of Fluoroorganic Compounds, 233-289 (1985)
Perfluoroalkylene-activated poly (aryl ether) synthesis.
Labadie JW and Hedrick JL.
Macromolecules, 23(26), 5371-5373 (1990)
Lijuan Lan et al.
Environmental technology, 40(12), 1615-1623 (2018-01-11)
Carbon nanotubes (CNTs), activated carbon (AC), graphene, and aluminum oxide (Al2O3) supported 5% Pd catalysts were prepared by the conventional impregnation method, and catalytic activity was tested in the hydrogenation of 4-chlorophenol (4-CP) and nitrobenzene (NB) under ambient conditions (313 K

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