Cas no 625-95-6 (3-Iodotoluene)

3-Iodotoluene (C?H?I) is a halogenated aromatic compound characterized by the presence of an iodine substituent on the toluene ring. This organoiodine compound is commonly utilized as an intermediate in organic synthesis, particularly in cross-coupling reactions such as the Suzuki-Miyaura and Heck reactions, due to the favorable reactivity of the iodine moiety. Its high purity and stability make it a reliable reagent for constructing complex molecular frameworks. Additionally, 3-Iodotoluene serves as a precursor in pharmaceutical and agrochemical manufacturing, where precise functionalization of aromatic systems is required. The compound’s well-defined structure and compatibility with various reaction conditions underscore its utility in advanced synthetic applications.
3-Iodotoluene structure
3-Iodotoluene structure
Product Name:3-Iodotoluene
CAS No:625-95-6
MF:C7H7I
MW:218.034954309464
MDL:MFCD00001050
CID:39188
PubChem ID:12268
Update Time:2025-06-14

3-Iodotoluene Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-iodobenzene
    • 3-Iodotoluene
    • 1-iodo-3-methylbenzene
    • 3-iodo-toluene
    • 3-Me-C6H4-I
    • 3-methyliodobenzene
    • 3-Methylphenyl iodide
    • Benzene,1-iodo-3-methyl
    • M-IODOTOLUENE
    • m-Methyliodobenzene
    • m-Tolyl iodide
    • Toluene,m-iodo
    • Toluene,m-iodo-(7CI,8CI)
    • 3-Tolyl iodide
    • NSC 3775
    • m-Methylphenyl iodide
    • Toluene,m-iodo- (7CI,8CI)
    • SY002778
    • EINECS 210-918-5
    • I0216
    • EN300-218635
    • STR07696
    • 4-05-00-00839 (Beilstein Handbook Reference)
    • META IODOTOLUENE
    • UNII-2H574IR35G
    • 3-Iodotoluene, 99%
    • DTXSID5060809
    • J-512710
    • AKOS005258113
    • Q27254738
    • iodo-3-methylbenzene
    • MFCD00001050
    • Toluene, m-iodo-
    • m-Jodtoluol
    • NS00035086
    • XQJ
    • NSC3775
    • CS-W014806
    • InChI=1/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H
    • BRN 1903634
    • AC7852
    • SCHEMBL1735
    • IODOTOLUENE, 3-
    • NSC-3775
    • 625-95-6
    • AMY28282
    • A1750
    • 2H574IR35G
    • FT-0615917
    • Benzene, 1-iodo-3-methyl-
    • 1-iodo-3-methyl-benzene
    • DTXCID7043378
    • meta-iodotoluene
    • 210-918-5
    • Toluene, m-iodo-(7CI,8CI)
    • MDL: MFCD00001050
    • Inchi: 1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
    • InChI Key: VLCPISYURGTGLP-UHFFFAOYSA-N
    • SMILES: IC1=CC=CC(C)=C1
    • BRN: 1903634

Computed Properties

  • Exact Mass: 217.95900
  • Monoisotopic Mass: 217.959243
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 70.8
  • 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: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: Colorless liquid
  • Density: 1.698?g/mL?at 25?°C(lit.)
  • Melting Point: -27°C(lit.)
  • Boiling Point: 213°C(lit.)
  • Flash Point: Fahrenheit: 181.4 ° f < br / > Celsius: 83 ° C < br / >
  • Refractive Index: n20/D 1.604(lit.)
  • Water Partition Coefficient: Not miscible in water. Soluble in benzene, alcohol and ether.
  • PSA: 0.00000
  • LogP: 2.59960
  • Sensitiveness: Light Sensitive
  • FEMA: 3282
  • Solubility: Insoluble in water.

3-Iodotoluene Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:UN 2810
  • WGK Germany:2
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • RTECS:DA3440000
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • TSCA:T
  • Storage Condition:Store at room temperature
  • Risk Phrases:R36/37/38
  • Safety Term:S26;S36

3-Iodotoluene Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

3-Iodotoluene Pricemore >>

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3-Iodotoluene Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:625-95-6)3-甲碘苯
Order Number:LE1648876
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:31
Price ($):discuss personally
Amadis Chemical Company Limited
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(CAS:625-95-6)3-Iodotoluene
Order Number:A1750
Stock Status:in Stock
Quantity:1kg
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:00
Price ($):264.0
Suzhou Senfeida Chemical Co., Ltd
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(CAS:625-95-6)3-Iodotoluene
Order Number:sfd16977;1648876
Stock Status:in Stock
Quantity:200kg/Company Customization
Purity:99.9%/98%
Pricing Information Last Updated:Friday, 19 July 2024 14:37
Price ($):discuss personally

Additional information on 3-Iodotoluene

Comprehensive Guide to 3-Iodotoluene (CAS No. 625-95-6): Properties, Applications, and Industry Insights

3-Iodotoluene (CAS No. 625-95-6), also known as meta-iodotoluene or 3-methyliodobenzene, is a halogenated aromatic compound widely utilized in organic synthesis and pharmaceutical research. This compound belongs to the iodotoluene family, characterized by a methyl group and an iodine atom attached to a benzene ring. Its unique structure makes it a valuable intermediate in cross-coupling reactions, such as Suzuki and Heck reactions, which are pivotal in modern drug discovery and material science.

The growing demand for 3-Iodotoluene is driven by its role in synthesizing advanced materials and active pharmaceutical ingredients (APIs). Researchers frequently search for "3-Iodotoluene synthesis," "CAS 625-95-6 applications," and "iodotoluene derivatives" due to its relevance in agrochemicals, liquid crystals, and specialty polymers. With the rise of green chemistry, inquiries like "sustainable production of 3-Iodotoluene" have surged, reflecting industry shifts toward eco-friendly methodologies.

From a molecular perspective, 3-Iodotoluene exhibits notable stability and reactivity, making it ideal for palladium-catalyzed transformations. Its meta-substitution pattern distinguishes it from ortho- and para-isomers, offering selective pathways for functionalization. Laboratories often prioritize "high-purity 3-Iodotoluene" for precise synthetic outcomes, emphasizing the need for rigorous quality control in commercial batches.

In the context of trending topics, 3-Iodotoluene intersects with discussions on "halogenated building blocks in drug design" and "scalable aromatic iodination." Innovations in continuous-flow chemistry have further spotlighted this compound, as users explore "flow reactor synthesis for iodotoluene" to enhance efficiency. Additionally, its compatibility with photoredox catalysis aligns with the "visible-light-driven reactions" trend in synthetic chemistry.

Regulatory and safety profiles of 3-Iodotoluene are frequently queried, with terms like "625-95-6 safety data sheet" and "handling iodotoluene compounds" gaining traction. While not classified as hazardous under standard conditions, proper storage away from light and oxidizing agents is recommended to maintain stability. This aligns with broader industry searches for "stable aromatic iodides" and "long-term storage of halogenated aromatics."

The commercial landscape for 3-Iodotoluene is shaped by suppliers emphasizing "bulk iodotoluene availability" and "custom synthesis services." As patent expirations drive generic drug production, demand for intermediates like 3-Iodotoluene is projected to grow, particularly in regions with booming pharmaceutical sectors. Searches for "CAS 625-95-6 suppliers" often highlight regional pricing trends and logistical considerations.

In summary, 3-Iodotoluene (CAS No. 625-95-6) remains a cornerstone in synthetic chemistry, bridging academic research and industrial applications. Its versatility in forming carbon-carbon and carbon-heteroatom bonds ensures sustained relevance, while emerging technologies promise to redefine its production and utility. For researchers and manufacturers alike, understanding its properties and market dynamics is key to leveraging its full potential.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:625-95-6)3-甲碘苯
LE1648876
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email
Amadis Chemical Company Limited
(CAS:625-95-6)3-Iodotoluene
A1750
Purity:99%
Quantity:1kg
Price ($):264.0
Email