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365866

Sigma-Aldrich

4-Methylbenzotrifluoride

98%

Synonym(s):

α,α,α-Trifluoro-p-xylene

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About This Item

Linear Formula:
CH3C6H4CF3
CAS Number:
6140-17-6
Molecular Weight:
160.14
EC Number:
228-124-2
MDL number:
MFCD00075476
UNSPSC Code:
12352100
PubChem Substance ID:
24862589

assay

98%

refractive index

n20/D 1.426 (lit.)

bp

129 °C (lit.)

density

1.144 g/mL at 25 °C (lit.)

SMILES string

Cc1ccc(cc1)C(F)(F)F

InChI

1S/C8H7F3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5H,1H3

InChI key

LRLRAYMYEXQKID-UHFFFAOYSA-N

General description

4-Methylbenzotrifluoride is a halogenated hydrocarbon.

Application

4-Methylbenzotrifluoride may be used in the preparation of 2-(4-methylphenyl) benzothiazole.[1]

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

80.6 °F - closed cup

flash_point_c

27 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKBL6507V
MKBF3815V
MKBF3815
00729JJ
16907CN

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2-Arylbenzothiazoles and 2-Arylbenzoxazoles from a, a, a-Trihalomethyl Aromatic Compounds.
So Y-H and Decaire R.
Synthetic Communications, 28(22), 4123-4135 (1998)

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