Cas no 20651-67-6 (1-Butyl-4-iodobenzene)
1-Butyl-4-iodobenzene is an organic compound with the molecular formula C??H??I, featuring a butyl group and an iodine substituent on a benzene ring. This compound serves as a versatile intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura and Heck couplings, due to the reactivity of the iodine moiety. Its butyl chain enhances solubility in nonpolar solvents, facilitating handling in various reaction conditions. The iodine atom's high leaving-group tendency makes it valuable for aryl-aryl bond formation. 1-Butyl-4-iodobenzene is commonly used in pharmaceutical and materials science research, offering a balance of stability and reactivity for synthetic applications.
1-Butyl-4-iodobenzene structure
Product Name:1-Butyl-4-iodobenzene
CAS No:20651-67-6
MF:C10H13I
MW:260.114695310593
MDL:MFCD00051927
CID:88207
PubChem ID:2724607
Update Time:2025-06-10
1-Butyl-4-iodobenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-Butyl-4-iodobenzene
- 1-n-Butyl-4-iodobenzene
- +4-n-Butyliodobenzene
- 4-Iodo-n-butylbenzene
- p-Butyliodobenzene
- 1-(4'-IODOPHENYL)BUTANE
- 1-iodo-4-n-butylbenzene
- 4-butyliodobenzene
- 4-N-AMYLIODOBENZENE
- 4-n-Bu-C6H4-I
- 4-n-butyl-1-iodobenzene
- 4-n-Butyliodobenzene
- 1-Iodo-4-butylbenzene
- 4-Butylphenyl iodide
- Benzene, 1-butyl-4-iodo-
- XILRUONFYBUYIE-UHFFFAOYSA-N
- 1-(4-IODOPHENYL)BUTANE
- PubChem3969
- p-iodo-n-butylbenzene
- Jsp004229
- 1-IODO-4-PENTYL-BENZENE
- 0587AB
- TRA0042765
- AS02333
- AS02288
- AS
- O10393
- SB66703
- SCHEMBL320046
- FT-0608145
- CS-W010150
- SY029294
- DTXSID20369186
- A853507
- MFCD00051927
- 20651-67-6
- EN300-4369434
- AKOS009157719
- (4R,5R)-2,2-DIMETHYL-1,3-DIOXOLANE-4,5-DICARBOXYLICACIDDIMETHYLESTER
- FT-0605732
- AS-10050
-
- MDL： MFCD00051927
- Inchi： 1S/C10H13I/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
- InChI Key： XILRUONFYBUYIE-UHFFFAOYSA-N
- SMILES： IC1C=CC(=CC=1)CCCC
- BRN： 3030029
Computed Properties
- Exact Mass: 260.00600
- Monoisotopic Mass: 260.00620g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 93
- 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: 4.5
- Topological Polar Surface Area: 0
Experimental Properties
- Color/Form: {"from":"zh","to":"en","trans_result":[{"src":"\u6db2\u4f53","dst":"liquid"},{"src":"2.\u00a0\u5bc6\u5ea6\uff08g\/mL,25\/4\u2103\uff09","dst":"2. density (g\/ml, 25\/4 \u2103)"}]}
- Density: 1.466±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 248.4±9.0 oC (760 Torr),
- Flash Point: 108.9±7.7 oC,
- Refractive Index: 1.5690
- Solubility: Insuluble (3.6E-3 g/L) (25 oC),
- Water Partition Coefficient: Sparingly soluble in water at 25°C 3.6E-3 g/L.
- PSA: 0.00000
- LogP: 3.63380
- Sensitiveness: Light Sensitive
1-Butyl-4-iodobenzene Security Information
- Safety Instruction： S26-S37/39
-
Hazardous Material Identification：
- Safety Term：S26;S37/39
- Risk Phrases：R36/37/38
1-Butyl-4-iodobenzene 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%
1-Butyl-4-iodobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | L-OP971-1g |
1-Butyl-4-iodobenzene |
20651-67-6 | 98% | 1g |
￥83.0 | 2022-02-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | L-OP971-5g |
1-Butyl-4-iodobenzene |
20651-67-6 | 98% | 5g |
￥237.0 | 2022-02-28 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B124312-100g |
1-Butyl-4-iodobenzene |
20651-67-6 | 98% | 100g |
￥1587.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B124312-25g |
1-Butyl-4-iodobenzene |
20651-67-6 | 98% | 25g |
￥496.90 | 2023-09-04 | |
| Chemenu | CM283088-25g |
1-Butyl-4-iodobenzene |
20651-67-6 | 95% | 25g |
$82 | 2022-06-12 | |
| Chemenu | CM283088-100g |
1-Butyl-4-iodobenzene |
20651-67-6 | 95% | 100g |
$319 | 2022-06-12 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R022502-100g |
1-Butyl-4-iodobenzene |
20651-67-6 | 98% | 100g |
￥1810 | 2024-05-25 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R022502-25g |
1-Butyl-4-iodobenzene |
20651-67-6 | 98% | 25g |
￥692 | 2024-05-25 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | N69070-100g |
1-Butyl-4-iodobenzene |
20651-67-6 | 100g |
￥1886.0 | 2021-09-08 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | N69070-25g |
1-Butyl-4-iodobenzene |
20651-67-6 | 25g |
￥486.0 | 2021-09-08 |
1-Butyl-4-iodobenzene Related Literature
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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