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3-Chloro-2-iodotoluene is an organic chemical compound characterized by the molecular formula C7H6ClI. It is a member of the halogenated toluenes class, known for its role as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. This colorless to pale yellow liquid exhibits a pungent odor and is recognized for its versatility in chemical transformations, such as halogenation, nitration, and Friedel-Crafts reactions.

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  • 5100-98-1 Structure
  • Basic information

    1. Product Name: 3-CHLORO-2-IODOTOLUENE
    2. Synonyms: BUTTPARK 121\11-21;3-CHLORO-2-IODOTOLUENE;3-Chloro-2-iodotoluene,98%;1-chloro-2-iodo-3-methylbenzene
    3. CAS NO:5100-98-1
    4. Molecular Formula: C7H6ClI
    5. Molecular Weight: 252.48
    6. EINECS: -0
    7. Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives;Halogen toluene;Chlorine Compounds;Iodine Compounds
    8. Mol File: 5100-98-1.mol
  • Chemical Properties

    1. Melting Point: 25-27°C
    2. Boiling Point: 134-136°C 20mm
    3. Flash Point: 134-136°C/20mm
    4. Appearance: /
    5. Density: 1.806
    6. Vapor Pressure: 0.0331mmHg at 25°C
    7. Refractive Index: 1.6080
    8. Storage Temp.: 2-8°C(protect from light)
    9. Solubility: N/A
    10. Sensitive: Light Sensitive
    11. BRN: 2961541
    12. CAS DataBase Reference: 3-CHLORO-2-IODOTOLUENE(CAS DataBase Reference)
    13. NIST Chemistry Reference: 3-CHLORO-2-IODOTOLUENE(5100-98-1)
    14. EPA Substance Registry System: 3-CHLORO-2-IODOTOLUENE(5100-98-1)
  • Safety Data

    1. Hazard Codes: Xi,N
    2. Statements: 36/38-50/53-41-37/38
    3. Safety Statements: 26-36/37/39-61-60-39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 5100-98-1(Hazardous Substances Data)

5100-98-1 Usage

Uses

Used in Pharmaceutical Industry:
3-Chloro-2-iodotoluene is used as a key intermediate for the synthesis of various pharmaceuticals, contributing to the development of new drugs and therapeutic agents. Its unique chemical structure allows for the creation of diverse molecular entities with potential medicinal properties.
Used in Agrochemical Industry:
In the agrochemical sector, 3-Chloro-2-iodotoluene is utilized as a precursor in the production of agrochemicals, including pesticides and herbicides. Its reactivity and stability make it suitable for the synthesis of compounds that can effectively control pests and weeds in agricultural settings.
Used in Dye and Pigment Production:
3-Chloro-2-iodotoluene is employed as a starting material in the manufacture of dyes and pigments, which are essential for coloring textiles, plastics, and other materials. Its ability to undergo various chemical reactions enables the production of a wide range of colorants with different shades and properties.
Used in Organic Synthesis Research:
As a versatile substrate for chemical transformations, 3-Chloro-2-iodotoluene is commonly used by researchers and chemists in the laboratory setting. Its reactivity and utility in organic synthesis make it an invaluable tool for exploring new reaction pathways and developing innovative synthetic methods.

Check Digit Verification of cas no

The CAS Registry Mumber 5100-98-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,1,0 and 0 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 5100-98:
(6*5)+(5*1)+(4*0)+(3*0)+(2*9)+(1*8)=61
61 % 10 = 1
So 5100-98-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H6ClI/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3

5100-98-1 Well-known Company Product Price

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  • (Code)Product description
  • CAS number
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  • Alfa Aesar

  • (L06824)  3-Chloro-2-iodotoluene, 98%   

  • 5100-98-1

  • 1g

  • 695.0CNY

  • Detail
  • Alfa Aesar

  • (L06824)  3-Chloro-2-iodotoluene, 98%   

  • 5100-98-1

  • 5g

  • 2470.0CNY

  • Detail

5100-98-1Relevant articles and documents

Method for preparing polysoproxil intermediate

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Paragraph 0034; 0074-0081, (2021/11/26)

The method comprises the following steps: (1). A hydrogen chloride salt of 2 - chlorine -6 - methylaniline compound 1 is prepared by taking 2 - chlorine -6 - methylaniline compound 1 as a raw material in a suitable solvent, and then subjected to diazotization reaction with a nitration reagent aqueous solution to obtain the diazonium salt 2 - chloro -6 - methylaniline. The iodine-containing reagent is reacted with an iodo reagent to obtain 3 -chloro -2 -iodotoluene compound 2. (2), the compound 2 is reacted with the reactant cyanide to give 2 -chloro -6 -iodo-benzonitrile compound 3. (3), the compound 3 undergoes a hydrolysis reaction to obtain 2 - chloro -6 - methyl benzoic acid compound 4, and the reaction equation is as follows. The method has the advantages of cheap and easily available raw materials, high reaction conversion rate, simplicity and rapidness, mild and controllable reaction conditions, mild reaction conditions, high yield of the obtained product, easy separation and purification, high purity and easy industrial mass production.

COMPOUNDS FOR TARGETED DEGRADATION OF BRD9

-

Page/Page column 351-352, (2021/09/11)

BRD9 protein degradation compounds or pharmaceutically acceptable salts thereof are provided for the treatment of disorders mediated by BRD9, including but not limited to abnormal cellular proliferation.

VINYLSILYL GRIGNARD REAGENTS AS ARYNE TRAPS. A NEW ROUTE TO (ARYLALKENYL)SILANES.

Vinod, Thottumkara K.,Hart, Harold

, p. 885 - 888 (2007/10/02)

A general method for preparing (arylalkenyl)silanes via nucleophilic capture of arynes with vinyltrimethylsilyl Grignard reagents is decribed.

7 AND 8-Halo substituted 1,2,3,4-tetrahydroisoquinoline compounds

-

, (2008/06/13)

1,2,3,4-Tetrahydroisoquinoline compounds having 7 and 8 halo substituents are inhibitors of phenylethanolamine N-methyltransferase.

Pharmaceutical compositions and methods of inhibiting phenylethanolamine N-methyltransferase

-

, (2008/06/13)

Pharmaceutical compositions and methods of inhibiting phenylethanolamine N-methyltransferase using 7 and/or 8 substituted 1,2,3,4-tetrahydroisoquinoline compounds.

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