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Key Documents

Safety Information

235806

Sigma-Aldrich

3,4-Dichlorobenzotrifluoride

97%

Synonym(s):

3,4-Dichloro-α,α,α-trifluorotoluene

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About This Item

Linear Formula:
Cl2C6H3CF3
CAS Number:
Molecular Weight:
215.00
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor pressure

1.6 mmHg ( 20 °C)

Quality Level

Assay

97%

form

liquid

refractive index

n20/D 1.475 (lit.)

bp

173-174 °C (lit.)

mp

−13-−12 °C (lit.)

density

1.478 g/mL at 25 °C (lit.)

SMILES string

FC(F)(F)c1ccc(Cl)c(Cl)c1

InChI

1S/C7H3Cl2F3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H

InChI key

XILPLWOGHPSJBK-UHFFFAOYSA-N

Application

3,4-Dichlorobenzotrifluoride has been used in the preparation of:
  • 3,4-difluorobenzotrifluoride by a KF exchange reaction
  • 2-chloro-4-trifluoromethylphenyl 4-nitrophenylether (RH-2512), potential diphenyl ether herbicide

Pictograms

Exclamation markEnvironment

Signal Word

Warning

Hazard Statements

Hazard Classifications

Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

149.0 °F - closed cup

Flash Point(C)

65 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

235806-BULK:
235806-VAR:
235806-500G:
235806-10G:
235806-50G:
235806-100G:


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New potent diphenyl ether herbicides.
R Y Yih et al.
Journal of agricultural and food chemistry, 23(3), 592-593 (1975-05-01)
Aromatic fluorine chemistry. Part 1. 3, 4-Difluorobenzoic acid and derivatives via 3, 4-difluorobenzotrifluoride.
Pews RG, et al.
Journal of Fluorine Chemistry, 50(3), 365-370 (1990)

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