1-Chloro-4-(trifluoromethoxy)benzene

Basic Information

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CAS Number

461-81-4

Molecular Formula

C7H4ClF3O

Molecular Weight

196.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

51-53

Boiling Point

145°C

Flash Point

142-143°C

Refractive Index

1.436

SMILES

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C1=CC(=CC=C1OC(F)(F)F)Cl

InChI

InChI=1S/C7H4ClF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H

InChIKey

SELFZOLQRDPBKC-UHFFFAOYSA-N

LogP

3.238600000000001

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

140

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-chlorophenyltrifluoromethyl ether
W-106099
AC-26096
CS-W010583
MFCD00040953
AS-12028
4-Chloro(trifluoromethoxy)benzene
T2149
SCHEMBL255564
A1716
1-Chloro-4-(trifluoromethoxy)benzene
SELFZOLQRDPBKC-UHFFFAOYSA-
AMY5201
p-Chloro(trifluoromethoxy)benzene
InChI=1/C7H4ClF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
EN300-217621
P-CHLOROTRIFLUOROMETHOXYBENZENE
461-81-4
NS00044114
FT-0616891
1-Chloro-4-trifluoromethoxybenzene
4UBA2QE3RJ
DTXSID10196721
AKOS006228376
Benzene, 1-chloro-4-(trifluoromethoxy)-
F11247
4-Chloro Trifluoro methoxy benzene
4-(TRIFLUOROMETHOXY)CHLOROBENZENE
1-chloro-4-(trifluoromethyloxy)-benzene
EINECS 207-315-4
1-CHLORO-4-TRIFLUOROMETHXYBENZENE

MDL Number

MFCD00040953

Customs Code

2909309090

FAQ

What regulatory guidelines apply to 1-Chloro-4-(trifluoromethoxy)benzene (CAS: 461-81-4)?

1-Chloro-4-(trifluoromethoxy)benzene (CAS: 461-81-4) falls under the scope of GHS (Global Harmonized System of Classification and Labelling of Chemicals) and requires specific hazard communication labeling. In the EU, it must comply with REACH regulations. The FDA and EPA have specific requirements for its use and disposal in the United States, including proper labeling and documentation. Ensure all handling adheres to local and international regulations.

Are there alternatives to 1-Chloro-4-(trifluoromethoxy)benzene (CAS: 461-81-4) in synthesis?

Alternative reagents such as 4-(trifluoromethoxy)benzenesulfonic acid or 2-chloro-4-(trifluoromethoxy)benzene can be used as substitutes in synthesis. These alternatives offer similar functional groups but with different steric and electronic properties. Careful consideration of chemical properties and reaction conditions is essential when choosing an alternative.

What is the market or research trend for 1-Chloro-4-(trifluoromethoxy)benzene (CAS: 461-81-4)?

The market for 1-Chloro-4-(trifluoromethoxy)benzene (CAS: 461-81-4) is driven by its use in pharmaceuticals and agrochemicals. Research trends indicate increasing demand for novel fluorinated compounds due to their unique physicochemical properties. Recent studies focus on developing greener synthesis methods and exploring its applications in medicinal chemistry and materials science.

How should waste containing 1-Chloro-4-(trifluoromethoxy)benzene (CAS: 461-81-4) be handled?

Waste containing 1-Chloro-4-(trifluoromethoxy)benzene (CAS: 461-81-4) should be collected and stored in appropriate containers. Incineration is a common disposal method, but ensure it meets regulatory standards. For professional waste disposal, contact a certified hazardous waste management company. Implement strict environmental protection measures to prevent accidental releases and ensure worker safety during handling and disposal.