Cas no 5100-98-1 (3-Chloro-2-iodotoluene)
3-Chloro-2-iodotoluene (CAS: [insert CAS if available]) is a halogenated aromatic compound featuring both chloro and iodo substituents on a toluene backbone. This structure makes it a versatile intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki or Sonogashira couplings, where the iodine moiety offers high reactivity. The chloro group further enhances its utility in sequential functionalization. Its stability under standard conditions ensures ease of handling and storage. Commonly employed in pharmaceutical and agrochemical research, 3-Chloro-2-iodotoluene is valued for its selectivity in electrophilic substitutions and as a building block for complex molecular frameworks. Purity and precise halogen placement are critical for consistent performance.
3-Chloro-2-iodotoluene structure
Product Name:3-Chloro-2-iodotoluene
CAS No:5100-98-1
MF:C7H6ClI
MW:252.480013370514
MDL:MFCD00051756
CID:85224
PubChem ID:138414
Update Time:2025-06-23
3-Chloro-2-iodotoluene Chemical and Physical Properties
Names and Identifiers
-
- 3-Chloro-2-iodotoluene
- 1-chloro-2-iodo-3-methylbenzene
- Toluene, 3-chloro-2-iodo-
- FTGLKPMFTLNUBN-UHFFFAOYSA-N
- Benzene, 1-chloro-2-iodo-3-methyl-
- PubChem3655
- KSC493O0B
- 1-chloro-2-iodo-3-methyl-benzene
- 3-chloro-2-iodotoluene, AldrichCPR
- CL8830
- SBB101149
- RP28999
- VZ26580
- RP29000
- AS03078
- 1-
- MFCD00051756
- CS-W004938
- 5100-98-1
- SY062031
- AKOS015848712
- SCHEMBL1628250
- A828391
- C3364
- FT-0615347
- 1-chloranyl-2-iodanyl-3-methyl-benzene
- EN300-116824
- DTXSID10199010
- DS-0886
- J-512193
- DTXCID40121501
- DB-051878
-
- MDL： MFCD00051756
- Inchi： 1S/C7H6ClI/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
- InChI Key： FTGLKPMFTLNUBN-UHFFFAOYSA-N
- SMILES： IC1C(=CC=CC=1C)Cl
- BRN： 2961541
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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.6
- Topological Polar Surface Area: 0
Experimental Properties
- Color/Form: Uncertain
- Density: 1.806
- Melting Point: 25-29°C
- Boiling Point: 125°C/14mmHg(lit.)
- Flash Point: 134-136°C/20mm
- Refractive Index: 1.6080
- PSA: 0.00000
- LogP: 3.25300
- Sensitiveness: Light Sensitive
- Solubility: Uncertain
3-Chloro-2-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
- Hazard Category Code： 36/38-50/53-41-37/38
- Safety Instruction： S26-S36/37/39
-
Hazardous Material Identification：
- Storage Condition：0-10°C
- Risk Phrases：R36/38
- Safety Term：S26-S36/37/39
3-Chloro-2-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%
3-Chloro-2-iodotoluene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | C3364-5g |
3-Chloro-2-iodotoluene |
5100-98-1 | 95.0%(GC) | 5g |
640.0CNY | 2021-08-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | C3364-25g |
3-Chloro-2-iodotoluene |
5100-98-1 | 95.0%(GC) | 25g |
2065.0CNY | 2021-08-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-YK558-250mg |
3-Chloro-2-iodotoluene |
5100-98-1 | 97% | 250mg |
40CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-YK558-5g |
3-Chloro-2-iodotoluene |
5100-98-1 | 99+% | 5g |
215.0CNY | 2021-08-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-YK558-1g |
3-Chloro-2-iodotoluene |
5100-98-1 | 99+% | 1g |
79.0CNY | 2021-08-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-YK558-25g |
3-Chloro-2-iodotoluene |
5100-98-1 | 97% | 25g |
926CNY | 2021-05-08 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C848493-1g |
3-Chloro-2-iodotoluene |
5100-98-1 | 97% | 1g |
66.60 | 2021-05-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-YK558-20g |
3-Chloro-2-iodotoluene |
5100-98-1 | 99+% | 20g |
609.0CNY | 2021-08-05 | |
| TRC | C585765-10mg |
3-Chloro-2-iodotoluene |
5100-98-1 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C585765-50mg |
3-Chloro-2-iodotoluene |
5100-98-1 | 50mg |
$ 65.00 | 2022-06-06 |
3-Chloro-2-iodotoluene Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
5100-98-1 (3-Chloro-2-iodotoluene) Related Products
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- 36649-80-6(1,1'-Biphenyl, 3,3'-dichloro-4,4'-diiodo-)
- 1035263-40-1(1-(Bromomethyl)-3-chloro-2-iodobenzene)
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