1,3-Bis(chloromethyl) Benzene

Basic Information

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CAS Number

626-16-4

Molecular Formula

C8H8Cl2

Molecular Weight

175.06 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

33-37 ºC

Boiling Point

250-255 ºC

Density

1.202

Flash Point

112 ºC

Solubility

methanol: soluble1g/10 mL, clear, colorless

Refractive Index

1.5544 (estimate)

SMILES

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C1=CC(=CC(=C1)CCl)CCl

InChI

InChI=1S/C8H8Cl2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2

InChIKey

GRJWOKACBGZOKT-UHFFFAOYSA-N

LogP

3.164200000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

83.3

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H330

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H330 Fatal if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

GRJWOKACBGZOKT-UHFFFAOYSA-
NSC96971
m-Dichloroxylene
I+/-,I+/-'-dichloro-m-xylene
m-Xylylenchlorid
Benzene, 1,3-bis(chloromethyl)-
A'-Dichloro-m-xylene
UNII-G4Y9VC52AF
A,
m-Xylene Dichloridm-Xylene Dichloridee
A833885
alpha,alpha'-dichloro-meta-xylene
Benzene, 1,3-dichloromethyl-
LS-13409
alpha , alpha '-Dichloro-m-xylene
.alpha.,.alpha.'-Dichloro-m-xylene
alpha, alpha'-dichloro-m-xylene
m-Bis(chloromethyl)benzene
1,3-Bis(chloromethyl)benzene
CCRIS 1774
BRN 2079898
D1015
m-Xylene, .alpha.,.alpha.'-dichloro-
DTXSID4060814
626-16-4
FT-0606570
NSC 96971
alpha,alpha'-Dichloro-m-xylene
NS00035102
G4Y9VC52AF

MDL Number

MFCD00000912

Customs Code

29036990

FAQ

What are the physical and chemical properties of 1,3-Bis(chloromethyl) Benzene (CAS: 626-16-4)?

1,3-Bis(chloromethyl) Benzene (CAS: 626-16-4) is a colorless crystalline solid at room temperature. It has a molecular weight of approximately 193.06 g/mol and a melting point of 55.5°C. This compound is poorly soluble in water but soluble in organic solvents like benzene and toluene. It is a reactive compound, showing affinity for nucleophiles and can undergo substitution reactions easily.

How is 1,3-Bis(chloromethyl) Benzene (CAS: 626-16-4) typically synthesized?

1,3-Bis(chloromethyl) Benzene is typically synthesized by the reaction of chloromethylbenzene with bromine in the presence of sodium hydroxide, followed by hydrolysis of the bromide. The overall process is selective and yields high purity products. Commonly, this is carried out in an inert solvent such as tetrahydrofuran (THF) to ensure safety and high yield.

What industries use 1,3-Bis(chloromethyl) Benzene (CAS: 626-16-4)?

1,3-Bis(chloromethyl) Benzene (CAS: 626-16-4) is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of active pharmaceutical ingredients (APIs). It is also utilized in the production of polymers and as a raw material for the development of sensors and semiconductors due to its unique reactivity and chemical properties.

What precautions should be taken when handling 1,3-Bis(chloromethyl) Benzene (CAS: 626-16-4)?

When handling 1,3-Bis(chloromethyl) Benzene (CAS: 626-16-4), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from flammable materials. Fume hoods should be used during synthesis and handling to minimize exposure. In the event of a spill, immediate action should be taken according to the safety data sheet (SDS) to ensure safety and proper disposal.