Chloro(~2~H_5_)benzene

Basic Information

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CAS Number

3114-55-4

Molecular Formula

C6D5Cl

Molecular Weight

117.59 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

-46ºC

Boiling Point

130-130.5 °C

Water Solubility

Not miscible with water.

Refractive Index

n20/D 1.522(lit.)

SMILES

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C1=CC=C(C=C1)Cl

InChI

InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D

InChIKey

MVPPADPHJFYWMZ-RALIUCGRSA-N

LogP

2.34

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

46.1

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H332 Harmful if inhaled
Acute toxicity, inhalation

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 3 Class 3

Synonyms & References

English

Benzene-d5, chloro-
Chlorobenzene D5
Chlorobenzene-d5, analytical standard
Chloro(2H5)benzene
EINECS 221-482-0
DTXSID90953233
1-Chloro(~2~H_5_)benzene
1-chloro(H)benzene
MVPPADPHJFYWMZ-RALIUCGRSA-N
3114-55-4
SCHEMBL1332470
MFCD00000531
Chlorobenzene, perdeutero-
Pentadeuterochlorobenzene
Chlorobenzene D5 100 microg/mL in Methanol
AS-35123
Benzene-d5-, chloro-
Chlorobenzene-d5
1-chloro-2,3,4,5,6-pentadeuteriobenzene
Chlorobenzene-d5, 99 atom % D
J-018261
AKOS015888334
Chlorobenzene-d (Isotopic)
Chlorobenzene-d5 Solution
Chlorobenzene-d5neat
Internal Standard Mix
Internal Standards Mix
Laboratory Control Sample - Internal Standard Mix
Benzene-d5-,chloro
chloro-pentadeuterio-benzene
Benzene-d5,chloro- (7CI,8CI,9CI)

MDL Number

MFCD00000531

FAQ

What regulatory guidelines apply to Chloro(~2~H_5_)benzene (CAS: 3114-55-4)?

Chloro(~2~H_5_)benzene (CAS: 3114-55-4) falls under various regulatory guidelines. It is classified according to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes health, environmental, and physical hazards. For chemical safety data, it should comply with REACH regulations in the European Union, ensuring registration, evaluation, authorization, and restriction of chemicals. In the United States, it is subject to the Environmental Protection Agency (EPA) and Food and Drug Administration (FDA) guidelines, particularly regarding environmental releases and safety in manufacturing processes.

Are there alternatives to Chloro(~2~H_5_)benzene (CAS: 3114-55-4) in synthesis?

For synthesis purposes, alternatives to Chloro(~2~H_5_)benzene (CAS: 3114-55-4) include chlorobenzene and other halobenzenes like bromobenzene or fluorobenzene. These compounds can serve similar roles in reactions but may have different reactivity and properties. Other synthetic routes may also employ benzene derivatives with different functional groups, such as nitrobenzene or toluene, depending on the specific needs of the synthesis.

What is the market or research trend for Chloro(~2~H_5_)benzene (CAS: 3114-55-4)?

The market and research for Chloro(~2~H_5_)benzene (CAS: 3114-55-4) are driven by its applications in pharmaceuticals, dyes, and pesticides. Recent trends include a focus on sustainable alternatives and safer chemical production methods. Research is also exploring its use in new materials and functional polymers. Market dynamics indicate growing interest in eco-friendly products, which may influence the demand for Chloro(~2~H_5_)benzene and similar compounds.

How should waste containing Chloro(~2~H_5_)benzene (CAS: 3114-55-4) be handled?

Waste containing Chloro(~2~H_5_)benzene (CAS: 3114-55-4) should be managed according to the local hazardous waste regulations. Collection should be done in appropriate containers, sealed to prevent leakage. For disposal, professional waste treatment facilities should be utilized. Incineration is a common method, but it must be conducted under controlled conditions to prevent contamination. Environmental precautions include proper ventilation and waste isolation to ensure safety during handling and disposal.