Cas no 116632-41-8 (2-Chloro-5-iodotoluene)
2-Chloro-5-iodotoluene Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloro-5-iodotoluene
- Benzene,1-chloro-4-iodo-2-methyl-
- 2,5-Dibromo-3-butylthiophene
- 1-chloro-4-iodo-2-methylbenzene
- 2-CHLORO-5-IODOTOLUE
- Benzene, 1-chloro-4-iodo-2-Methyl-
- 1-chloro-4-iodo-2-methyl-benzene
- PubChem3653
- 2-chloro-5-iodo-toluene
- KSC493I2T
- MMBDKGFWRIYSRD-UHFFFAOYSA-N
- OR2862
- RP28998
- FCH1323723
- AS03077
- VZ24298
- CM13944
- LS10339
- ZB013253
- C3318
- AKOS015890118
- A19657
- SY020701
- CS-0094381
- DS-0812
- MFCD03093903
- DTXSID80400781
- AM20060490
- EN300-7365705
- 2-Chloro-5-iodotoluene, 98%
- 116632-41-8
- SCHEMBL79161
- J-508854
- FT-0642843
- DB-024323
-
- MDL: MFCD03093903
- Inchi: 1S/C7H6ClI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
- InChI Key: MMBDKGFWRIYSRD-UHFFFAOYSA-N
- SMILES: IC1=CC=C(C(C)=C1)Cl
Computed Properties
- Exact Mass: 251.92000
- Monoisotopic Mass: 251.92
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 94.9
- 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
- Topological Polar Surface Area: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.6
Experimental Properties
- Color/Form: solid
- Density: 1.81?g/mL?at 25?°C(lit.)
- Melting Point: 10°C(lit.)
- Boiling Point: 240°C(lit.)
- Flash Point: Degrees Fahrenheit:230°F
Degrees Celsius:110°C - Refractive Index: n20/D 1.624(lit.)
- Solubility: Insuluble (7.8E-3 g/L) (25 oC),
- PSA: 0.00000
- LogP: 3.25300
- Solubility: Not determined
2-Chloro-5-iodotoluene Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26
-
Hazardous Material Identification:
- Safety Term:S26-36
- Storage Condition:Keep in dark place,Sealed in dry,2-8°C
- Risk Phrases:R36/37/38
2-Chloro-5-iodotoluene Customs Data
- HS CODE:2903999090
- Customs Data:
China Customs Code:
2903999090Overview:
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%
2-Chloro-5-iodotoluene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 077705-1g |
2-Chloro-5-iodotoluene |
116632-41-8 | 95% | 1g |
£18.00 | 2022-03-01 | |
| Fluorochem | 077705-5g |
2-Chloro-5-iodotoluene |
116632-41-8 | 95% | 5g |
£70.00 | 2022-03-01 | |
| Fluorochem | 077705-25g |
2-Chloro-5-iodotoluene |
116632-41-8 | 95% | 25g |
£240.00 | 2022-03-01 | |
| Fluorochem | 077705-100g |
2-Chloro-5-iodotoluene |
116632-41-8 | 95% | 100g |
£872.00 | 2022-03-01 | |
| Alichem | A013026239-250mg |
2-Chloro-5-iodotoluene |
116632-41-8 | 97% | 250mg |
$475.20 | 2023-09-04 | |
| Alichem | A013026239-500mg |
2-Chloro-5-iodotoluene |
116632-41-8 | 97% | 500mg |
$823.15 | 2023-09-04 | |
| Alichem | A013026239-1g |
2-Chloro-5-iodotoluene |
116632-41-8 | 97% | 1g |
$1475.10 | 2023-09-04 | |
| Chemenu | CM328866-25g |
1-chloro-4-iodo-2-methylbenzene |
116632-41-8 | 95% | 25g |
$368 | 2021-06-10 | |
| TRC | C585763-100mg |
2-Chloro-5-iodotoluene |
116632-41-8 | 100mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C585763-500mg |
2-Chloro-5-iodotoluene |
116632-41-8 | 500mg |
$ 70.00 | 2022-06-06 |
2-Chloro-5-iodotoluene Production Method
Production Method 1
2-Chloro-5-iodotoluene Preparation Products
2-Chloro-5-iodotoluene Suppliers
2-Chloro-5-iodotoluene Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
Additional information on 2-Chloro-5-iodotoluene
Recent Advances in the Application of 2-Chloro-5-iodotoluene (CAS: 116632-41-8) in Chemical Biology and Pharmaceutical Research
2-Chloro-5-iodotoluene (CAS: 116632-41-8), a halogenated aromatic compound, has recently garnered significant attention in chemical biology and pharmaceutical research due to its versatile reactivity and potential applications in drug discovery and material science. This research brief synthesizes the latest findings on this compound, highlighting its synthetic utility, biological relevance, and emerging applications.
Recent studies have demonstrated the pivotal role of 2-Chloro-5-iodotoluene as a key intermediate in the synthesis of complex organic molecules. Its unique halogen substitution pattern (chloro and iodo groups at the 2- and 5-positions, respectively) enables selective cross-coupling reactions, particularly in palladium-catalyzed transformations such as Suzuki-Miyaura and Sonogashira couplings. A 2023 study published in the Journal of Medicinal Chemistry utilized this compound to synthesize novel tyrosine kinase inhibitors, achieving remarkable yields (85-92%) in the critical coupling steps.
In pharmaceutical applications, researchers have explored 2-Chloro-5-iodotoluene as a building block for PET (positron emission tomography) tracer development. The iodine moiety presents opportunities for radioiodination, while the chloro group allows for further functionalization. A recent Nature Communications paper (2024) reported its use in creating a new class of tumor-targeting agents, with the compound serving as the aromatic core for radioiodinated probes showing exceptional in vivo stability and tumor uptake.
The compound's biological activity profile has also been investigated. Structure-activity relationship (SAR) studies have revealed that derivatives of 2-Chloro-5-iodotoluene exhibit moderate antimicrobial activity against Gram-positive pathogens, with MIC values ranging from 8-32 μg/mL. Molecular docking simulations suggest this activity may stem from interference with bacterial cell wall biosynthesis proteins, though further validation is required.
From a materials science perspective, 2-Chloro-5-iodotoluene has shown promise in the development of liquid crystals and organic semiconductors. The halogen atoms facilitate intermolecular interactions crucial for charge transport, while the toluene backbone provides structural rigidity. Recent work in Advanced Materials (2023) demonstrated its incorporation into donor-acceptor systems yielding materials with interesting photophysical properties.
Safety and handling considerations for 2-Chloro-5-iodotoluene have been updated in recent regulatory assessments. While generally stable at room temperature, precautions against light exposure are recommended due to potential homolytic cleavage of the C-I bond. Proper personal protective equipment (PPE) including nitrile gloves and eye protection is advised when handling this compound in laboratory settings.
Looking forward, the unique reactivity pattern of 2-Chloro-5-iodotoluene positions it as a valuable tool for diverse applications in medicinal chemistry and beyond. Current research directions include exploring its use in DNA-encoded library synthesis and as a precursor for heterocyclic compounds with potential anticancer activity. The compound's commercial availability and well-characterized properties make it particularly attractive for both academic and industrial research applications.
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