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153079

Sigma-Aldrich

3-Nitrobenzotrifluoride

97%

Synonym(s):

3-Nitro-α,α,α-trifluorotoluene

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5 G
¥3,670

¥3,670

Estimated to ship onApril 13, 2025

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5 G
¥3,670

About This Item

Linear Formula:
O2NC6H4CF3
CAS Number:
98-46-4
Molecular Weight:
191.11
EC Number:
202-670-1
MDL number:
MFCD00007260
UNSPSC Code:
12352100
PubChem Substance ID:
24849283
NACRES:
NA.22

¥3,670

Estimated to ship onApril 13, 2025

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Quality Level

100

Assay

97%

form

liquid

refractive index

n20/D 1.472 (lit.)

bp

200-205 °C (lit.)

density

1.436 g/mL at 25 °C (lit.)

functional group

fluoro
nitro

SMILES string

[O-][N+](=O)c1cccc(c1)C(F)(F)F

InChI

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

InChI key

WHNAMGUAXHGCHH-UHFFFAOYSA-N

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H302,H315,H319,H330,H335

Hazard Classifications

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 2

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 Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

153079-100G:
153079-BULK:
153079-5G:
153079-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
STBC6388V
STBB6690V
STBB6690
03903HJ
S39566

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H V Lavrov et al.
Dalton transactions (Cambridge, England : 2003), 46(33), 10926-10934 (2017-08-03)
We have predicted earlier by DFT simulation that tridentate O,N,O-donor cyclic dilactams (B) belonging to the family of pyridine-2,6-dicarboxamides are much more selective and efficient extractants for the separation of lanthanides and actinides than open-structure pyridine-2,6-dicarboxamides due to the higher
The Structures of Biphenyl, o-Terphenyl and Tetraphenylene1.
Karle IL and Brockway LO.
Journal of the American Chemical Society, 66(11), 1974-1979 (1944)

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