2,4-Dichloro-1-(trichloromethyl)benzene

Basic Information

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CAS Number

13014-18-1

Molecular Formula

C7H3Cl5

Molecular Weight

264.37 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

46.0 to 50.0 deg-C

Boiling Point

159°C/20mmHg

Flash Point

> 112 C

Refractive Index

1.5939 (estimate)

SMILES

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C1=CC(=C(C=C1Cl)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C7H3Cl5/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H

InChIKey

KZSNBJMYJWDVTK-UHFFFAOYSA-N

LogP

4.820100000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

152

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

.alpha.,.alpha.,.alpha.,2,4-Pentachlorotoluene
MLS002415690
KZSNBJMYJWDVTK-UHFFFAOYSA-N
MFCD00018818
AI3-02376
AS-65396
alpha,alpha,alpha,2,4-Pentachlorotoluene
Benzene,4-dichloro-1-(trichloromethyl)-
Toluene,.alpha.,.alpha.,2,4-pentachloro-
W-110309
DTXSID3025839
EC 235-868-1
A854867
EINECS 235-868-1
CAS-13014-18-1
NSC-403840
BRN 0514239
SMR001370880
2,4,.alpha.,.alpha.,.alpha.-Pentachlorotoluene
Benzene, 2,4-dichloro-1-(trichloromethyl)-
InChI=1/C7H3Cl5/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3
NCGC00091827-02
NSC 403840
SCHEMBL1845000
CHEMBL1560541
2,4-Dichlorbenzotrichloride
2,4-Dichloro-1-(trichloromethyl)benzene
CCRIS 6087
2,4-Dichloro benzotrichloride
HMS3039N04
NCGC00258493-01

MDL Number

MFCD00018818

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 2,4-Dichloro-1-(trichloromethyl)benzene (CAS: 13014-18-1)?

2,4-Dichloro-1-(trichloromethyl)benzene is a crystalline solid with a molecular weight of approximately 327.66 g/mol. It has low solubility in water but is more soluble in organic solvents like methylene chloride. Chemically, it is highly reactive and susceptible to hydrolysis under basic conditions. It is also prone to photodegradation and has low reactivity towards nucleophiles.

How is 2,4-Dichloro-1-(trichloromethyl)benzene (CAS: 13014-18-1) typically synthesized?

2,4-Dichloro-1-(trichloromethyl)benzene is usually synthesized via the reaction of 2,4-dichlorobenzoyl chloride with trichloromethyl chloride in the presence of a Lewis acid catalyst, such as aluminum trichloride. The process requires careful control of temperature and reaction time to achieve high yield and selectivity.

What industries use 2,4-Dichloro-1-(trichloromethyl)benzene (CAS: 13014-18-1)?

2,4-Dichloro-1-(trichloromethyl)benzene is primarily used in the synthesis of dyes and pigments. It is also employed in the production of certain types of polymers and as a precursor in the development of chemical sensors and semiconductors.

What precautions should be taken when handling 2,4-Dichloro-1-(trichloromethyl)benzene (CAS: 13014-18-1)?

Laboratory handling of 2,4-Dichloro-1-(trichloromethyl)benzene requires the use of appropriate personal protective equipment, including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be managed using appropriate absorbents and the Material Safety Data Sheet (MSDS) should be consulted for detailed guidance on disposal and emergency procedures.