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Merck
CN

C26402

4-Chlorobenzotrifluoride

98%

Synonym(s):

1-Chloro-4-(trifluoromethyl)benzene, 4-Chloro-α,α,α-trifluorotoluene

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About This Item

Linear Formula:
ClC6H4CF3
CAS Number:
98-56-6
Molecular Weight:
180.55
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24892509
EC Number:
202-681-1
Beilstein/REAXYS Number:
510203
MDL number:
MFCD00000627
Assay:
98%
Form:
liquid

Key Documents

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InChI

1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

InChI key

QULYNCCPRWKEMF-UHFFFAOYSA-N

SMILES string

FC(F)(F)c1ccc(Cl)cc1

assay

98%

form

liquid

refractive index

n20/D 1.446 (lit.)

bp

136-138 °C (lit.)

mp

−36 °C (lit.)

density

1.353 g/mL at 25 °C (lit.)

Quality Level

100

Related Categories

signalword

Warning

Hazard Classifications

Aquatic Chronic 2 - Flam. Liq. 3 - Skin Sens. 1

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

109.4 °F - closed cup

flash_point_c

43 °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
MKCP2586
MKCP2584
MKCH2855
MKCD3795
08507BO

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[Substantiation of the maximum permissible level of para-chlorobenzotrifluoride in the atmospheric air].
K A Rapoport et al.
Gigiena i sanitariia, (10)(10), 82-83 (1986-10-01)
[Determination of the maximum allowable concentration of alpha, alpha, alpha-trifluoro-4-chlorotoluene in the air of the work zone].
A I Khalepo et al.
Gigiena truda i professional'nye zabolevaniia, (5)(5), 49-51 (1984-05-01)
Metabolism of p-chlorobenzotrifluoride by rats.
G B Quistad et al.
Journal of agricultural and food chemistry, 31(3), 585-589 (1983-05-01)
J M Yuan et al.
Toxicology and applied pharmacology, 111(1), 107-115 (1991-10-01)
Toxicokinetics of p-chloro-alpha,alpha,alpha-trifluorotoluene (CTFT) after administration as an aqueous alpha-cyclodextrin (alpha-CD) molecular encapsulation suspension (alpha-CD vehicle) or as a corn oil solution (corn oil vehicle) were compared. Male F344 rats were administered intragastrically CTFT in alpha-CD vehicle or corn oil
A Macrì et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 25(10), 781-786 (1987-10-01)
The subchronic oral toxicity of 4-chloro-alpha, alpha, alpha-trifluorotoluene (CTT) was assessed in Sprague-Dawley rats. Four groups of six male and six female rats were treated daily for 28 days, by gavage, with doses of 0, 10, 100 and 1000 mg
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