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Ethyl 5-iodo-2-methylbenzoate is a chemical compound with the molecular formula C10H11IO2. It is a derivative of benzoic acid, featuring an ethyl ester group, a methyl group, and an iodine atom attached to the benzene ring. Ethyl 5-iodo-2-methylbenzoate is known for its mild, sweet aroma and is utilized in various applications across different industries.

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  • 612833-45-1 Structure
  • Basic information

    1. Product Name: Ethyl 5-iodo-2-methylbenzoate
    2. Synonyms: Ethyl 5-iodo-2-methylbenzoate;5-iodo-2-methylBenzoic acid ethyl ester
    3. CAS NO:612833-45-1
    4. Molecular Formula: C10H11IO2
    5. Molecular Weight: 290.09761
    6. EINECS: N/A
    7. Product Categories: Acids & Esters;Iodine Compounds
    8. Mol File: 612833-45-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 305.974°C at 760 mmHg
    3. Flash Point: 138.849°C
    4. Appearance: /
    5. Density: 1.592g/cm3
    6. Vapor Pressure: 0.001mmHg at 25°C
    7. Refractive Index: 1.577
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: Ethyl 5-iodo-2-methylbenzoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: Ethyl 5-iodo-2-methylbenzoate(612833-45-1)
    12. EPA Substance Registry System: Ethyl 5-iodo-2-methylbenzoate(612833-45-1)
  • 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: 612833-45-1(Hazardous Substances Data)

612833-45-1 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
Ethyl 5-iodo-2-methylbenzoate is used as a reagent in organic synthesis for the preparation of various pharmaceuticals and agrochemicals. Its unique structure and properties make it a valuable component in the development of new and effective compounds for these industries.
Used in Fragrance and Flavoring Industries:
Ethyl 5-iodo-2-methylbenzoate is used as a key ingredient in the production of fragrances and flavorings due to its pleasant aroma. It contributes to the creation of scents and tastes in a wide range of consumer products, including perfumes, cosmetics, and food items.
Used in Materials Science:
Ethyl 5-iodo-2-methylbenzoate has applications in the field of materials science, particularly in the development of new polymers and materials with specific properties. Its unique chemical structure allows for the creation of innovative materials with tailored characteristics for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 612833-45-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,1,2,8,3 and 3 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 612833-45:
(8*6)+(7*1)+(6*2)+(5*8)+(4*3)+(3*3)+(2*4)+(1*5)=141
141 % 10 = 1
So 612833-45-1 is a valid CAS Registry Number.
InChI:InChI=1/C10H11IO2/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3

612833-45-1Relevant articles and documents

N-Iodosuccinimide (NIS) in Direct Aromatic Iodination

Bergstr?m, Maria,Suresh, Ganji,Naidu, Veluru Ramesh,Unelius, C. Rikard

, p. 3234 - 3239 (2017/06/21)

N-Iodosuccinimide (NIS) in pure trifluoroacetic acid (TFA) offers a time-efficient and general method for the iodination of a wide range of mono- and disubstituted benzenes at room temperature, as demonstrated in this paper. The starting materials were generally converted into mono-iodinated products in less than 16 hours at room temperature, without byproducts. A few deactivated substrates needed addition of sulfuric acid to increase the reaction rate. Another exception was methoxybenzenes that preferentially were iodinated by NIS in acetonitrile with only catalytic amounts of TFA.

4-METHYL-2,3,5,9,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALENES

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Page/Page column 95-96; 98, (2014/02/16)

The invention relates to 4-methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalene derivatives of general formula (I) which are inhibitors of phosphodiesterase 2 and/or 10, useful in treating central nervous system diseases and other diseases. In addition, the invention relates to processes for preparing pharmaceutical compositions as well as processes for manufacture the compounds according to the invention.

4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes

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Paragraph 0565-0568; 0577, (2014/03/21)

The invention relates to 4-methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalene derivatives of general formula (I) which are inhibitors of phosphodiesterase 2 and/or 10, useful in treating central nervous system diseases and other diseases. In addition, the invention relates to processes for preparing pharmaceutical compositions as well as processes for manufacture the compounds according to the invention.

THIAZOLE DERIVATIVES AS SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME

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, (2012/01/06)

The present invention relates to a novel compound with thiazole ring having an inhibitory activity against sodium-dependent glucose cotransporter 2 (SGLT2) being present in the intestine and kidney, and a pharmaceutical composition comprising the same as an active ingredient, which is useful for preventing or treating metabolic disorders, particularly diabetes.

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