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Merck
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Key Documents

8.41244

Sigma-Aldrich

4-Hydroxybenzotrifluoride

for synthesis

Synonym(s):

4-Hydroxybenzotrifluoride, α,α,α-Trifluoro-p-cresol, 4-Trifluoromethylphenol

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About This Item

Empirical Formula (Hill Notation):
C7H5F3O
CAS Number:
402-45-9
Molecular Weight:
162.11
MDL number:
MFCD00002363
UNSPSC Code:
12352104
EC Index Number:
206-945-7
NACRES:
NA.22

Quality Level

200

Assay

≥98.0% (GC)

form

powder

bp

73-75 °C/11 hPa

mp

46-48 °C

transition temp

flash point 83 °C

InChI

1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H

InChI key

BAYGVMXZJBFEMB-UHFFFAOYSA-N

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Melting range (lower value): ≥ 42 °C
Melting range (upper value): ≤ 47 °C
Identity (IR): passes test

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Oral - Eye Dam. 1 - Flam. Sol. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

4.1B - Flammable solid hazardous materials

WGK

WGK 3

Flash Point(F)

183.2 °F - closed cup

Flash Point(C)

84 °C - closed cup

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