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Merck
CN

103977

2,3,4,5,6-Pentafluorotoluene

99%

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About This Item

Linear Formula:
C6F5CH3
CAS Number:
771-56-2
Molecular Weight:
182.09
UNSPSC Code:
12352100
PubChem Substance ID:
24846631
EC Number:
212-233-7
MDL number:
MFCD00000298
Assay:
99%

Key Documents

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InChI key

SXPRVMIZFRCAGC-UHFFFAOYSA-N

InChI

1S/C7H3F5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3

SMILES string

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

assay

99%

refractive index

n20/D 1.403 (lit.)

bp

117 °C (lit.)

mp

−30 °C (lit.)

density

1.439 g/mL at 25 °C (lit.)

Quality Level

100

General description

2,3,4,5,6-Pentafluorotoluene is obtained by the Friedel Craft′s alkylation of pentafluorobenzene with methyl chloride.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

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

3 - Flammable liquids

wgk

WGK 3

flash_point_f

93.2 °F - closed cup

flash_point_c

34 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBB3163
69796TJ
67596MJ
15205KC
14527ES

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Friedel-Crafts alkylation of pentafluorobenzene.
Beckert WF and Lowe Jr JU.
The Journal of Organic Chemistry, 32(4), 1212-1215 (1967)

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