Cas no 82998-57-0 (3-Iodo-4-methylbenzoic acid)

3-Iodo-4-methylbenzoic acid structure
3-Iodo-4-methylbenzoic acid structure
Product Name:3-Iodo-4-methylbenzoic acid
CAS No:82998-57-0
MF:C8H7IO2
MW:262.044454813004
MDL:MFCD00010392
CID:60528
PubChem ID:87560646
Update Time:2024-10-27

3-Iodo-4-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Iodo-4-methylbenzoic acid
    • 3-Iodo-p-toluic Acid
    • 3-Iodo-4-methylbenzoic acid acid
    • 3-iodo-4-toluic acid
    • 3-iodotoluic acid
    • 4-methyl-3-iodobenzoic acid
    • Benzoic acid,3-iodo-4-methyl
    • 3-Iodo-4-methylbenzoicacid
    • Benzoic acid, 3-iodo-4-methyl-
    • LDDHMKANNXWUAK-UHFFFAOYSA-N
    • 3-Iodo-4-Methyl-Benzoic Acid
    • zlchem 953
    • 3-Iodo-p-toluicacid
    • PubChem3947
    • KSC449E9T
    • 3-Iodo-4-methyl benzoic acid
    • ARONIS023691
    • PARAGOS 440022
    • PARAGOS 440021
    • Benzoicacid, 3-iodo-4-methyl-
    • ZLD0419
    • BCP15174
    • SBB003083
    • 3-Iodo-4-methylbe
    • 3-Iodo-4-methylbenzoic acid (ACI)
    • 3-Iodo-4-methylbenzoic acid,98%
    • MDL： MFCD00010392
    • Inchi： 1S/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
    • InChI Key： LDDHMKANNXWUAK-UHFFFAOYSA-N
    • SMILES： O=C(C1C=C(I)C(C)=CC=1)O
    • BRN： 2436216

Computed Properties

  • Exact Mass: 261.94900
  • Monoisotopic Mass: 276.936162
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 158
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 2.5
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Color/Form: solid
  • Density: 1.7835 (estimate)
  • Melting Point: 207.0 to 212.0 deg-C
  • Boiling Point: 278.5°C (rough estimate)
  • Flash Point: 168.6℃
  • Solubility: Soluble in methanol.
  • PSA: 37.30000
  • LogP: 2.29780
  • Sensitiveness: Light Sensitive
  • Solubility: Not determined

3-Iodo-4-methylbenzoic acid Security Information

3-Iodo-4-methylbenzoic acid Customs Data

  • HS CODE：2916399090
  • Customs Data：

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-Iodo-4-methylbenzoic acid Pricemore >>

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3-Iodo-4-methylbenzoic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Diisopropylcarbodiimide ,  1-Hydroxybenzotriazole Catalysts: 4-(Dimethylamino)pyridine Solvents: Dimethylformamide ,  Dichloromethane ;  overnight, 25 °C
Reference
Development of resin-to-resin transfer reactions (RRTR) using Sonogashira chemistry
Tulla-Puche, Judit; et al, Tetrahedron, 2005, 61(8), 2195-2201

Production Method 2

Reaction Conditions
1.1 Reagents: Ammonium iodide ,  rel-(3R,5R)-3,5-Bis(hydroperoxy)-3,5-dimethyl-1,2-dioxolane Solvents: Acetic acid ;  5 h, rt
1.2 Reagents: Sodium sulfite Solvents: Water ;  10 min, rt
Reference
Regioselective bromination and iodination of aromatic substrates promoted by trans-3,5-dihydroperoxy-3,5-dimethyl-1,2-dioxolane
Azarifar, Davood; et al, Journal of the Iranian Chemical Society, 2012, 9(3), 321-326

Production Method 3

Reaction Conditions
Reference
Potassium permanganate - convenient oxidizer for direct iodination of aromatic compounds
Chaikovskii, V. K.; et al, Zhurnal Prikladnoi Khimii (Sankt-Peterburg, 1984, 57(1), 134-7

Production Method 4

Reaction Conditions
1.1 Reagents: Iodine ,  Sodium periodate Solvents: Acetic acid ,  Acetic anhydride
1.2 Reagents: Sulfuric acid
1.3 Reagents: Sodium sulfite Solvents: Water
Reference
Iodination of Both Deactivated and Activated Arenes with Sodium Periodate or Sodium Iodate as the Oxidants
Lulinski, Piotr; et al, Bulletin of the Chemical Society of Japan, 2000, 73(4), 951-956

Production Method 5

Reaction Conditions
1.1 Reagents: Potassium hydroxide ,  Oxygen Catalysts: Cobalt (carbon supported) Solvents: Water ;  24 h, 10 bar, 110 °C
Reference
A "universal" catalyst for aerobic oxidations to synthesize (hetero)aromatic aldehydes, ketones, esters, acids, nitriles, and amides
Senthamarai, Thirusangumurugan; et al, Chem, 2022, 8(2), 508-531

Production Method 6

Reaction Conditions
1.1 Reagents: Sodium nitrite ,  Hydrochloric acid Solvents: Water
1.2 Reagents: Potassium iodide ,  Cuprous iodide Solvents: Water
Reference
The synthesis of 3-hydroxymethyldibenzo[b,f]thiepin 5,5-dioxide, a prostaglandin antagonist
Hands, David; et al, Journal of Heterocyclic Chemistry, 1986, 23(5), 1333-7

3-Iodo-4-methylbenzoic acid Raw materials

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3-Iodo-4-methylbenzoic acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:82998-57-0)3-Iodo-4-methylbenzoic acid
Order Number:sfd19194
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:38
Price ($):discuss personally

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Suzhou Senfeida Chemical Co., Ltd
(CAS:82998-57-0)3-Iodo-4-methylbenzoic acid
sfd19194
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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