1-Iodo-4-(2-methyl-2-propanyl)benzene

Basic Information

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CAS Number

35779-04-5

Molecular Formula

C10H13I

Molecular Weight

260.12 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

78°C (estimate)

Boiling Point

118°C/9mmHg

Refractive Index

n20/D 1.57(lit.)

SMILES

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

InChI

InChI=1S/C10H13I/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3

InChIKey

WQVIVQDHNKQWTM-UHFFFAOYSA-N

LogP

3.588700000000003

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

115

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class LIGHT SENSITIVE Class LIGHT SENSITIVE

Sensitiveness

Light Sensitive

Synonyms & References

English

A20778
CS-W014070
SY019191
EN300-646042
4-tert-Butyliodobenzene, 98%
1-tert-butyl-4-iodobenzene
4-Iodo-1-Tert-butylbenzene
InChI=1/C10H13I/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H
1-iodo-4-tert-butylbenzene
1-(tert-butyl)-4-iodobenzene
NS00029917
AKOS009157210
2-(4'-iodophenyl)-2-methylpropane
SCHEMBL30157
MFCD00052339
PS-7370
4-t-Butyliodobenzene
FT-0619511
benzene, 1-(1,1-dimethylethyl)-4-iodo-
4-t-butyl-iodobenzene
1-tert-Butyl-4-iodo-benzene
35779-04-5
B3624
4-tert-Butyliodobenzene
Benzene, (1,1-dimethylethyl)iodo-
p-iodo-tert-butylbenzene
4-tert.-butyl-iodo-benzene
DTXSID20189306
AMY202100075
WQVIVQDHNKQWTM-UHFFFAOYSA-N
1-(tert-Butyl)-4-iodobenzene

MDL Number

MFCD00052339

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Iodo-4-(2-methyl-2-propanyl)benzene (CAS: 35779-04-5)?

1-Iodo-4-(2-methyl-2-propanyl)benzene has a crystalline form and a molecular weight of approximately 288.23 g/mol. It is slightly soluble in common organic solvents like acetone and dichloromethane. Its reactivity is moderate, with potential to undergo substitution reactions. It is not flammable but may react under certain conditions to generate harmful gases.

How is 1-Iodo-4-(2-methyl-2-propanyl)benzene (CAS: 35779-04-5) typically synthesized?

1-Iodo-4-(2-methyl-2-propanyl)benzene is typically synthesized via a Friedel-Crafts alkylation reaction using 2-methyl-2-propanol and benzene in the presence of iodine as a Lewis acid catalyst. The reaction is carried out under anhydrous conditions to improve yield and selectivity.

What industries use 1-Iodo-4-(2-methyl-2-propanyl)benzene (CAS: 35779-04-5)?

1-Iodo-4-(2-methyl-2-propanyl)benzene finds applications in pharmaceuticals, where it serves as a precursor for the synthesis of various organic compounds. It is also used in the polymer industry for the modification of polymers and in semiconductor manufacturing for the preparation of certain materials.

What precautions should be taken when handling 1-Iodo-4-(2-methyl-2-propanyl)benzene (CAS: 35779-04-5)?

When handling 1-Iodo-4-(2-methyl-2-propanyl)benzene, it is important to wear appropriate personal protective equipment (PPE) such as gloves and goggles. It should be stored in a cool, dry place away from direct sunlight and ignition sources. In case of a spill, it should be carefully cleaned up using absorbent materials and the area should be well ventilated. Safety data sheets (SDS) should be consulted for detailed handling and emergency procedures.