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Safety Information

196827

Sigma-Aldrich

2,3,5,6-Tetrafluorotoluene

99%

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About This Item

Linear Formula:
HC6F4CH3
CAS Number:
Molecular Weight:
164.10
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

Assay

99%

refractive index

n20/D 1.42 (lit.)

bp

125-126 °C (lit.)

density

1.347 g/mL at 25 °C (lit.)

SMILES string

Cc1c(F)c(F)cc(F)c1F

InChI

1S/C7H4F4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3

InChI key

POMGTQLCZJZYAM-UHFFFAOYSA-N

General description

Direct arylation reaction of 2,3,5,6-tetrafluorotoluene with various arylhalides has been investigated.

Pictograms

FlameExclamation mark

Signal Word

Warning

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

73.4 °F - closed cup

Flash Point(C)

23 °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 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

196827-VAR:
196827-1G:
196827-5G:
196827-BULK:


Certificates of Analysis (COA)

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Marc Lafrance et al.
Journal of the American Chemical Society, 128(27), 8754-8756 (2006-07-06)
Penta-, tetra-, tri-, and difluorobenzenes undergo direct arylation with a wide range of arylhalides in high yield. Inverse reactivity is observed compared to the common electrophilic aromatic substitution pathway since electron-deficient, C-H acidic arenes react preferentially. Computational studies indicate that

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