1-(Chloromethyl)-2-iodobenzene

Basic Information

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CAS Number

59473-45-9

Molecular Formula

C7H6ClI

Molecular Weight

252.48 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

29-31 °C

Boiling Point

147-149 °C/32 mmHg

Density

1.7773 (estimate)

Refractive Index

n20/D 1.635(lit.)

SMILES

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C1=CC=C(C(=C1)CCl)I

InChI

InChI=1S/C7H6ClI/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2

InChIKey

FTMNWZHKQGKKAU-UHFFFAOYSA-N

LogP

3.030000000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

Safety Information

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Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

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

Hazard Class

Class 8 Class 8

Synonyms & References

English

2-Iodobenzyl chloride, 98%
NS00034177
o-iodo-benzyl chloride
1-chloromethyl-2-iodo-benzene
2-Iodobenzyl chloride
J618WT46OL
BS-42223
2-iodo benzyl chloride
1-(Chloromethyl)-2-iodobenzene
FT-0650748
UNII-J618WT46OL
59473-45-9
D84611
MFCD00000898
PROSTAGLANDINF2ALPHA
o-Iodobenzyl chloride
1-(chloromethyl)-2-iodo-benzene
DTXSID70208177
1-(chloromethyl)-2-iodanyl-benzene
Benzene, 1-(chloromethyl)-2-iodo-
AM20040803
InChI=1/C7H6ClI/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H
AKOS015890865
AC-13299
EN300-1608567
GEO-01594
EINECS 261-779-2
SCHEMBL1445634
.ALPHA.-CHLORO-O-IODOTOLUENE
1-(Chloromethyl)-2-iodobenzene #
2-Iodobenzylchloride

MDL Number

MFCD00000898

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-(Chloromethyl)-2-iodobenzene (CAS: 59473-45-9)?

1-(Chloromethyl)-2-iodobenzene (CAS: 59473-45-9) is a yellow crystalline solid with a molecular weight of approximately 272.75 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is reactive, especially towards nucleophiles and can undergo substitution reactions. It is also prone to photochemical degradation.

How is 1-(Chloromethyl)-2-iodobenzene (CAS: 59473-45-9) typically synthesized?

1-(Chloromethyl)-2-iodobenzene is typically synthesized through a three-step process: first, 2-bromobenzaldehyde is treated with zinc chloride to form 1-chloromethyl-2-bromobenzene. Then, sodium iodide is used to replace the bromide ion, yielding the target compound. This synthesis involves the use of a fume hood due to the volatility and reactivity of the intermediate and final products.

What industries use 1-(Chloromethyl)-2-iodobenzene (CAS: 59473-45-9)?

1-(Chloromethyl)-2-iodobenzene (CAS: 59473-45-9) is used in the pharmaceutical industry for the synthesis of certain drugs and in the chemical industry for the production of organic compounds. It is also used in the polymer industry for the development of advanced materials and in the semiconductor industry for the fabrication of electronic components.

What precautions should be taken when handling 1-(Chloromethyl)-2-iodobenzene (CAS: 59473-45-9)?

When handling 1-(Chloromethyl)-2-iodobenzene (CAS: 59473-45-9), safety glasses, gloves, and a lab coat should be worn. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be cleaned up using appropriate absorbents and the area should be well-ventilated. Occupational Safety and Health Administration (OSHA) guidelines and Material Safety Data Sheet (MSDS) should be consulted for detailed safety information.