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Merck
CN

8.41554

Benzotrifluoride

for synthesis

Synonym(s):

Benzotrifluoride

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About This Item

Empirical Formula (Hill Notation):
C7H5F3
CAS Number:
Molecular Weight:
146.11
UNSPSC Code:
12352101
EC Index Number:
202-635-0
NACRES:
NA.22
MDL number:
Grade:
synthesis grade
Assay:
≥99% (GC)
Bp:
100-103 °C/1013 hPa
Vapor pressure:
53 hPa ( 25 °C)
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Product Name

Benzotrifluoride, for synthesis

SMILES string

FC(F)(F)c1ccccc1

InChI

1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

InChI key

GETTZEONDQJALK-UHFFFAOYSA-N

grade

synthesis grade

vapor pressure

53 hPa ( 25 °C)

assay

≥99% (GC)

form

liquid

autoignition temp.

650 °C

potency

15000 mg/kg LD50, oral (Rat)
>2000 mg/kg LD50, skin (Rat)

expl. lim.

1.4-9.3 % (v/v)

dilution

(for synthesis)

bp

100-103 °C/1013 hPa

mp

-29 °C

transition temp

flash point 12 °C

solubility

0.45 g/L (Hydrolysis)

density

1.197 g/cm3 at 20 °C

storage temp.

2-30°C

Quality Level

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.186 - 1.190
Identity (IR): passes test

signalword

Danger

Hazard Classifications

Aquatic Chronic 2 - Flam. Liq. 2 - STOT RE 2

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

46.4 °F - closed cup

flash_point_c

8 °C - closed cup

Regulatory Information

危险化学品
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