Cas no 444-29-1 (2-Iodobenzotrifluoride)
2-Iodobenzotrifluoride (CAS 696-41-3) is a halogenated aromatic compound featuring a trifluoromethyl group and an iodine substituent on the benzene ring. This organoiodine reagent is valued for its role in cross-coupling reactions, such as Suzuki and Ullmann couplings, due to the reactivity of the iodine moiety. The electron-withdrawing trifluoromethyl group enhances its utility in nucleophilic substitution and metal-catalyzed transformations. It is commonly employed in pharmaceutical and agrochemical synthesis as a versatile building block. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its high purity and consistent performance make it a reliable choice for advanced organic synthesis and research applications.
2-Iodobenzotrifluoride structure
Product Name:2-Iodobenzotrifluoride
CAS No:444-29-1
MF:C7H4F3I
MW:272.006344795227
MDL:MFCD00001041
CID:37411
PubChem ID:87571736
Update Time:2025-06-07
2-Iodobenzotrifluoride Chemical and Physical Properties
Names and Identifiers
-
- 1-Iodo-2-(trifluoromethyl)benzene
- 2-Iodobenzotrifluoride
- 2-Iodobenzotrifluoride (stabilized with Copper chip)
- α,α,α-trifluoro-2-iodotoluene
- 2-Iodo-α,α,α-trifluorotoluene
- 1-Iodo-2-(trifluoromethyl)benzene (stabilized with Copper chip)
- 2-Iodo-α,α,α-trifluorotoluene (stabilized with Copper chip)
- 2-Iodo-alpha,alpha,alpha-trifluorotoluene
- o-Iodobenzotrifluoride
- Benzene, 1-iodo-2-(trifluoromethyl)-
- 2-Iodobenztrifluoride
- o-Trifluoromethyliodobenzene
- 2-Iodo-a,a,a-trifluorotoluene
- iodobenzotrifluoride
- 2-IODOBENZOTRIFLORIDE
- alpha,alpha,alpha-Trifluoro-2-iodotoluene
- IGZGUYVVBABKOY-UHFFFAOYSA-N
- 2-(TRIFLUOROMETHYL)IODOBENZENE
- 2-IODO-1-TRIFLUOROMETHYLBENZENE
- NSC88291
- EINECS 207-147-1
- A7055
- J-650106
- NCIOpen2_005304
- InChI=1/C7H4F3I/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4
- AKOS009156900
- DTXSID6059998
- AC-4142
- FT-0612669
- AM61980
- W-106196
- Toluene, alpha,alpha,alpha-trifluoro-o-iodo-
- o-(trifluoromethyl)iodobenzene
- I+/-,I+/-,I+/--trifluoro-2-iodotoluene
- 1-iodo-2-(trifluoromethyl)benzene;2-(Trifluoromethyl)iodobenzene
- Toluene, .alpha.,.alpha.,.alpha.-trifluoro-o-iodo-
- 444-29-1
- CHLORODIFLUOROACETYLFLUORIDE
- Toluene,.alpha.,.alpha.-trifluoro-o-iodo-
- AS-11618
- 2-iodotrifluoromethylbenzene
- SY016459
- 1-iodo-2-trifluoromethylbenzene
- CS-W004050
- NS00043416
- MFCD00001041
- SCHEMBL11526
- I0383
- 2-iodo-trifluoromethylbenzene
- NSC 88291
- .alpha.,.alpha.-Trifluoro-o-iodo toluene
- 2-Trifluoromethyliodobenzene
- o-iodine trifluoro toluene
- EN300-396599
- .alpha.,.alpha.,.alpha.-Trifluoro-o-iodotoluene
- NSC-88291
- 2-trifluoromethylphenyl iodide
- F0001-1208
- 1-trifluoromethyl-2-iodobenzene
- o-Iodo-alpha,alpha,alpha-trifluorotoluene
- 1-iodo-2-trifluoromethyl-benzene
- 2-Iodobenzotrifluoride,98%
- FI37781
-
- MDL： MFCD00001041
- Inchi： 1S/C7H4F3I/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H
- InChI Key： IGZGUYVVBABKOY-UHFFFAOYSA-N
- SMILES： IC1C=CC=CC=1C(F)(F)F
- BRN： 2090038
Computed Properties
- Exact Mass: 271.93100
- Monoisotopic Mass: 271.93098g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 132
- 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: 3.5
- Topological Polar Surface Area: 0
Experimental Properties
- Color/Form: Light yellow liquid
- Density: 1.896
- Boiling Point: 198°C(lit.)
- Flash Point: 81 oC
- Refractive Index: 1.529-1.531
- Water Partition Coefficient: Insoluble
- PSA: 0.00000
- LogP: 3.31000
- Solubility: Insoluble in water
- Sensitiveness: Light Sensitive
2-Iodobenzotrifluoride Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Danger
- Hazard Statement： H314
- Warning Statement： P280,P305+P351+P338,P310
- Hazardous Material transportation number：UN 3265 8/PG 2
- WGK Germany：3
- Hazard Category Code： R36/37/38
- Safety Instruction： S26-S27-S36/37/39-S45-S37/39
-
Hazardous Material Identification：
- Packing Group：III
- Hazard Level：8
- HazardClass：8
- PackingGroup：III
- TSCA：T
- Storage Condition：Store at room temperature
- Safety Term：8
- Packing Group：III
- Risk Phrases：R36/37/38
2-Iodobenzotrifluoride 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-Iodobenzotrifluoride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | I685630-1g |
2-Iodobenzotrifluoride |
444-29-1 | 1g |
$ 52.00 | 2023-09-07 | ||
| TRC | I685630-5g |
2-Iodobenzotrifluoride |
444-29-1 | 5g |
$ 63.00 | 2023-09-07 | ||
| TRC | I685630-25g |
2-Iodobenzotrifluoride |
444-29-1 | 25g |
$ 81.00 | 2023-09-07 | ||
| TRC | I685630-50g |
2-Iodobenzotrifluoride |
444-29-1 | 50g |
$127.00 | 2023-05-18 | ||
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R018342-100g |
2-Iodobenzotrifluoride |
444-29-1 | 99% | 100g |
￥263 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R018342-25g |
2-Iodobenzotrifluoride |
444-29-1 | 99% | 25g |
￥68 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R018342-500g |
2-Iodobenzotrifluoride |
444-29-1 | 99% | 500g |
￥1387 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R018342-5g |
2-Iodobenzotrifluoride |
444-29-1 | 99% | 5g |
￥27 | 2024-05-23 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | I33190-25g |
2-Iodobenzotrifluoride |
444-29-1 | 98% | 25g |
￥76.0 | 2023-09-07 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | I33190-100g |
2-Iodobenzotrifluoride |
444-29-1 | 100g |
￥266.0 | 2021-09-09 |
2-Iodobenzotrifluoride Suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
(CAS:444-29-1)2-碘三氟甲苯
Order Number:LE2884861
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:42
Price ($):discuss personally
Email:[email protected]
2-Iodobenzotrifluoride Related Literature
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Z. Tber,M.-A. Hiebel,H. Allouchi,A. El Hakmaoui,M. Akssira,G. Guillaumet,S. Berteina-Raboin RSC Adv. 2015 5 35201
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2. NHC induced radical formation via homolytic cleavage of B–B bonds and its role in organic reactionsLaura Kuehn,Ludwig Zapf,Luis Werner,Martin Stang,Sabrina Würtemberger-Pietsch,Ivo Krummenacher,Holger Braunschweig,Emmanuel Lac?te,Todd B. Marder,Udo Radius Chem. Sci. 2022 13 8321
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Joel H?fliger,Cody Ross Pitts,Dustin Bornemann,Roland K?ser,Nico Santschi,Julie Charpentier,Elisabeth Otth,Nils Trapp,René Verel,Hans Peter Lüthi,Antonio Togni Chem. Sci. 2019 10 7251
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Florimond Cumine,Shengze Zhou,Tell Tuttle,John A. Murphy Org. Biomol. Chem. 2017 15 3324
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Vinod G. Landge,Audrey L. Bonds,Thandazile A. Mncwango,Carolina B. Mather,Yasaman Saleh,Hunter L. Fields,Frank Lee,Michael C. Young Org. Chem. Front. 2022 9 1967
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Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:444-29-1)2-碘三氟甲苯
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry