Cas no 136618-42-3 (Benzyl 4-iodobenzoate)
Benzyl 4-iodobenzoate is an organic compound commonly used as an intermediate in synthetic chemistry, particularly in cross-coupling reactions and pharmaceutical research. Its key structural features include a benzyl ester group and an iodine substituent at the para position of the benzoate ring, making it a versatile building block for further functionalization. The iodine moiety facilitates palladium-catalyzed couplings, such as Suzuki or Sonogashira reactions, enabling efficient carbon-carbon bond formation. The benzyl ester group offers stability under various conditions while remaining cleavable for downstream modifications. This compound is valued for its reliability in organic synthesis and its role in producing complex molecules for medicinal and materials chemistry applications.
Benzyl 4-iodobenzoate structure
Product Name:Benzyl 4-iodobenzoate
CAS No:136618-42-3
MF:C14H11IO2
MW:338.140416383743
MDL:MFCD18072656
CID:859758
PubChem ID:22254485
Update Time:2025-10-29
Benzyl 4-iodobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Benzyl 4-iodobenzoate
- 4-iodobenzoic acid benzyl ester
- phenylmethyl 4-iodobenzoate
- Benzyl4-iodobenzoate
- benzyl-4-iodobenzoate
- C14H11IO2
- SY046606
- Benzoic acid, 4-iodo-, phenylmethyl ester
- AB0035578
- ST24030152
- X9951
- DB-369867
- DTXSID30623943
- CS-0156253
- SCHEMBL1949483
- DS-1534
- 136618-42-3
- MFCD18072656
- AKOS015920397
-
- MDL： MFCD18072656
- Inchi： 1S/C14H11IO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
- InChI Key： MSSYFJWOCVCQJJ-UHFFFAOYSA-N
- SMILES： IC1C=CC(=CC=1)C(=O)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 337.98000
- Monoisotopic Mass: 337.98038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 241
- 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
- XLogP3: 4.6
- Topological Polar Surface Area: 26.3
Experimental Properties
- PSA: 26.30000
- LogP: 3.64820
Benzyl 4-iodobenzoate Customs Data
- HS CODE：2916399090
- Customs Data：
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Benzyl 4-iodobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B279908-100mg |
Benzyl 4-iodobenzoate |
136618-42-3 | 100mg |
$ 64.00 | 2023-04-18 | ||
| TRC | B279908-250mg |
Benzyl 4-iodobenzoate |
136618-42-3 | 250mg |
$ 115.00 | 2023-04-18 | ||
| TRC | B279908-500mg |
Benzyl 4-iodobenzoate |
136618-42-3 | 500mg |
$ 178.00 | 2023-04-18 | ||
| TRC | B279908-1g |
Benzyl 4-iodobenzoate |
136618-42-3 | 1g |
$ 253.00 | 2023-04-18 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B846536-1g |
Benzyl 4-iodobenzoate |
136618-42-3 | 98% | 1g |
422.10 | 2021-05-17 | |
| Fluorochem | 078408-250mg |
Benzyl 4-iodobenzoate |
136618-42-3 | 95% | 250mg |
￡27.00 | 2022-03-01 | |
| Fluorochem | 078408-1g |
Benzyl 4-iodobenzoate |
136618-42-3 | 95% | 1g |
￡61.00 | 2022-03-01 | |
| Fluorochem | 078408-5g |
Benzyl 4-iodobenzoate |
136618-42-3 | 95% | 5g |
￡179.00 | 2022-03-01 | |
| Fluorochem | 078408-10g |
Benzyl 4-iodobenzoate |
136618-42-3 | 95% | 10g |
￡286.00 | 2022-03-01 | |
| abcr | AB437333-250 mg |
Benzyl 4-iodobenzoate, 95%; . |
136618-42-3 | 95% | 250mg |
€119.10 | 2023-04-23 |
Benzyl 4-iodobenzoate Related Literature
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
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
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
136618-42-3 (Benzyl 4-iodobenzoate) Related Products
- 618-91-7(Methyl 3-iodobenzoate)
- 103204-07-5(Ethyl 4-iodo-3-methylbenzoate)
- 51839-15-7(Dimethyl 5-iodoisophthalate)
- 51934-41-9(Ethyl 4-iodobenzoate)
- 619-44-3(Methyl 4-iodobenzoate)
- 612833-45-1(Ethyl 5-iodo-2-methylbenzoate)
- 111160-45-3(Benzoic acid, 4-iodo-, 1-methylethyl ester)
- 859212-59-2(Ethyl 3-iodo-4-methylbenzoate)
- 58313-23-8(Ethyl 3-iodobenzoate)
- 93116-99-5(3-Iodo-5-(methoxycarbonyl)benzoic acid)
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