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3-Bromo-5-iodotoluene, with the molecular formula C7H6BrI, is an aromatic halogenated compound derived from toluene. It features bromine and iodine atoms attached to the 3rd and 5th positions, respectively, on the benzene ring. This colorless to pale yellow liquid exhibits a strong, pungent odor and is recognized for its unique halogen substitution pattern, making it a valuable building block in the synthesis of a wide range of organic molecules.

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  • 116632-38-3 Structure
  • Basic information

    1. Product Name: 3-BROMO-5-IODOTOLUENE
    2. Synonyms: 1-BROMO-3-IODO-5-METHYLBENZENE;3-BROMO-5-IODOTOLUENE
    3. CAS NO:116632-38-3
    4. Molecular Formula: C7H6BrI
    5. Molecular Weight: 296.93
    6. EINECS: N/A
    7. Product Categories: Bromine Compounds;Iodine Compounds
    8. Mol File: 116632-38-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 268.1 °C at 760 mmHg
    3. Flash Point: 115.9 °C
    4. Appearance: /
    5. Density: 2.062 g/cm3
    6. Refractive Index: 1.636
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-BROMO-5-IODOTOLUENE(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-BROMO-5-IODOTOLUENE(116632-38-3)
    11. EPA Substance Registry System: 3-BROMO-5-IODOTOLUENE(116632-38-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 116632-38-3(Hazardous Substances Data)

116632-38-3 Usage

Uses

Used in Pharmaceutical Industry:
3-Bromo-5-iodotoluene is utilized as an intermediate in the synthesis of various pharmaceuticals. Its unique halogenated structure allows for the creation of diverse organic molecules with potential therapeutic applications.
Used in Agrochemical Industry:
3-BROMO-5-IODOTOLUENE serves as a key intermediate in the production of agrochemicals, contributing to the development of effective pesticides and other agricultural chemicals.
Used in Fine Chemicals Industry:
3-Bromo-5-iodotoluene is employed in the preparation of fine chemicals, which are high-purity chemicals used in various applications, including the synthesis of specialty materials and compounds.
Used in Research and Development:
In the realm of research and development, 3-Bromo-5-iodotoluene is leveraged to create new chemical entities for a variety of industrial applications, further expanding its utility in the scientific community.

Check Digit Verification of cas no

The CAS Registry Mumber 116632-38-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,6,6,3 and 2 respectively; the second part has 2 digits, 3 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 116632-38:
(8*1)+(7*1)+(6*6)+(5*6)+(4*3)+(3*2)+(2*3)+(1*8)=113
113 % 10 = 3
So 116632-38-3 is a valid CAS Registry Number.
InChI:InChI=1/C7H6BrI/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3

116632-38-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Bromo-3-iodo-5-methylbenzene

1.2 Other means of identification

Product number -
Other names 1-bromo-3-iodo-5-methylbenzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:116632-38-3 SDS

116632-38-3Relevant articles and documents

Synthesis of shape-persistent macrocycles with three 1,8-diazaanthracene units and their packing in the single crystal

Li, Ming,Klaerner, Frank-Gerrit,Sakamoto, Junji,Schlueter, A. Dieter

, p. 13348 - 13354 (2013)

The synthesis of four shape-persistent macrocycles with three 1,8-diazaanthracene units each is reported (2,3 a-3 c). For two of them single crystals could be obtained and the structures in the crystal be solved. The structures reveal that macrocycle 2 se

A practical and general ipso iodination of arylboronic acids using N-iodomorpholinium iodide (NIMI) as a novel iodinating agent: mild and regioselective synthesis of aryliodides

Tale,Toradmal,Gopula

, p. 84910 - 84919 (2015/10/28)

A mild and efficient protocol for the ipso-iodination of aryl boronic acids using N-iodomorpholinium iodide (NIMI) generated in situ from morpholine and molecular iodine as a novel iodinating agent has been developed. The addition of a catalytic amount of copper iodide found to promote rate enhancement of the iodination reaction and dramatic increase in the yield depending upon the nature of the boronic acid was observed. The mechanistic study revealed that depending upon the nature of the substrate, either the classical ipso substitution or copper catalysed iododeborylation pathway overall dominates the present iodination reaction. The features such as mild reaction conditions, operational simplicity, high to excellent yields, excellent functional group compatibility and low catalyst loading make this method potentially useful in organic synthesis.

INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE

-

, (2011/04/13)

Cyclopentyl(2S,4E)-2-amino-5-{3-[4-carbamoyl-5(carbamoylamino)-2-thienyl]phenyl}pent-4-enoate; Cyclopentyl 5-{3-[4-carbamoyl-5-(carbamoylamino)-2-thienyl]phenyl}-L-norvalinate; Cyclopentyl(2S,4E)-2-amino-5-{3-[4-carbamoyl-5-(carbamoylamino)-2-thienyl]-5-m

INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE

-

, (2009/12/05)

Cyclopentyl (2S,4E)-2-amino-5-{3-[4-carbamoyl-5 (carbamoylamino)-2-thienyl]phenyl}pent-4-enoate; Cyclopentyl 5-{3-[4-carbamoyl-5-(carbamoylamino)-2-thienyl]phenyl}-L-norvalinate; Cyclopentyl (2S,4E)-2-amino-5-{3-[4-carbamoyl-5-(carbamoylamino)-2-thienyl]-

An easy and multigram-scale synthesis of versatile AA- and AB-type w-terphenylenes as building blocks for kinked polyphenylenes

Kissel, Patrick,Breitier, Simon,Reinmueller, Viktoria,Lanz, Patrick,Federer, Lukas,Schlueter, A. Dieter,Sakamoto, Junji

supporting information; experimental part, p. 2953 - 2955 (2009/11/30)

A set of m-terphenylenes having a readily functionalizable hydroxy group as well as either symmetric AA-type or unsymmetric AB-type halide termini have been prepared on a several-gram scale. The synthesis was carried out on the basis of the Suzuki-Miyaura

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