Cas no 1542-34-3 (3,5-Difluoro-4-iodoaniline)

3,5-Difluoro-4-iodoaniline is a halogenated aniline derivative featuring both fluorine and iodine substituents on the aromatic ring. This compound is valued for its versatility as a building block in organic synthesis, particularly in pharmaceutical and agrochemical applications. The presence of fluorine enhances metabolic stability and bioavailability, while the iodine moiety facilitates further functionalization via cross-coupling reactions, such as Suzuki or Sonogashira couplings. Its well-defined reactivity and high purity make it suitable for precise synthetic modifications. The compound’s structural features contribute to its utility in designing bioactive molecules, offering researchers a reliable intermediate for developing novel compounds with tailored properties.

3,5-Difluoro-4-iodoaniline structure

Product Name:3,5-Difluoro-4-iodoaniline

CAS No:1542-34-3

MF:C₆H₄F₂IN

MW:255.003940582275

MDL:MFCD07774190

CID:41555

PubChem ID:12982461

Update Time:2025-06-15

3,5-Difluoro-4-iodoaniline Chemical and Physical Properties

Names and Identifiers

- 3,5-Difluoro-4-iodoaniline
- Aniline,3,5-difluoro-4-iodo- (7CI,8CI)
- 3,5-difluoro-4-iodobenzenamine
- Benzenamine, 3,5-difluoro-4-iodo-
- KSC494O3B
- 3,5-difluoro-4-iodo-aniline
- 3,5-difluoro-4-iodophenylamine
- Benzenamine,3,5-difluoro-4-iodo-
- SBB101514
- CM11425
- 3,5-bis(fluoranyl)-4-iodanyl-aniline
- RP06215
- AS05353
- A809513
- AC-5236
- EN300-61534
- AMY13393
- 1542-34-3
- W-205761
- FT-0602628
- MFCD07774190
- CS-W021814
- AKOS015855566
- SY025683
- Z968700124
- DTXSID30514342
- SCHEMBL2360976
- AS-18124
- DB-006300
- MDL： MFCD07774190
- Inchi： 1S/C6H4F2IN/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
- InChI Key： CHXXMQJPYOKYSB-UHFFFAOYSA-N
- SMILES： IC1=C(C=C(C=C1F)N)F

Computed Properties

Exact Mass: 254.93600
Monoisotopic Mass: 254.93565g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 10
Rotatable Bond Count: 0
Complexity: 110
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: 26
XLogP3: 2.1

Experimental Properties

Melting Point: 112
Boiling Point: 270.6℃ at 760 mmHg
PSA: 26.02000
LogP: 2.73280

3,5-Difluoro-4-iodoaniline Customs Data

HS CODE：2921420090
Customs Data：

China Customs Code:
2921420090

Overview:

2921420090 Other aniline derivatives and their salts. 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

Summary:

HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3,5-Difluoro-4-iodoaniline Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
TRC	D473413-50mg	3,5-Difluoro-4-Iodoaniline	1542-34-3		50mg	$ 50.00	2022-06-05
TRC	D473413-100mg	3,5-Difluoro-4-Iodoaniline	1542-34-3		100mg	$ 65.00	2022-06-05
TRC	D473413-500mg	3,5-Difluoro-4-Iodoaniline	1542-34-3		500mg	$ 80.00	2022-06-05
Fluorochem	033298-1g	3,5-Difluoro-4-iodoaniline	1542-34-3	97%	1g	￡10.00	2022-03-01
Fluorochem	033298-5g	3,5-Difluoro-4-iodoaniline	1542-34-3	97%	5g	￡26.00	2022-03-01
Fluorochem	033298-10g	3,5-Difluoro-4-iodoaniline	1542-34-3	97%	10g	￡47.00	2022-03-01
Fluorochem	033298-25g	3,5-Difluoro-4-iodoaniline	1542-34-3	97%	25g	￡96.00	2022-03-01
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-LB784-1g	3,5-Difluoro-4-iodoaniline	1542-34-3	95%	1g	107.0CNY	2021-07-17
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-LB784-5g	3,5-Difluoro-4-iodoaniline	1542-34-3	95%	5g	435.0CNY	2021-07-17
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-LB784-200mg	3,5-Difluoro-4-iodoaniline	1542-34-3	95%	200mg	45.0CNY	2021-07-17

3,5-Difluoro-4-iodoaniline Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:1542-34-3)3,5-Difluoro-4-iodoaniline

Order Number:A809513

Stock Status:in Stock

Quantity:100g

Purity:99%

Pricing Information Last Updated:Monday, 2 September 2024 16:06

Price ($):172.0

Email:[email protected]

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Additional information on 3,5-Difluoro-4-iodoaniline

Research Briefing on 3,5-Difluoro-4-iodoaniline (CAS: 1542-34-3) in Chemical Biology and Pharmaceutical Applications

3,5-Difluoro-4-iodoaniline (CAS: 1542-34-3) has emerged as a key intermediate in the synthesis of bioactive molecules and pharmaceutical compounds. Recent studies highlight its utility in the development of novel tyrosine kinase inhibitors and PET radiotracers, particularly due to the strategic positioning of fluorine and iodine atoms that enable selective functionalization. This briefing synthesizes the latest research (2022-2023) on its synthetic applications, pharmacological potential, and analytical characterization.

A 2023 Journal of Medicinal Chemistry study (DOI: 10.1021/acs.jmedchem.2c01876) demonstrated its role in constructing irreversible EGFR inhibitors, where the iodine moiety facilitated Suzuki-Miyaura cross-coupling with boronic acid derivatives. The difluoro substitution pattern was critical for maintaining compound lipophilicity (logP = 2.8 ± 0.2) while enhancing metabolic stability in human liver microsomes (t_1/2 > 120 min).

In radiopharmaceutical applications, researchers at MIT (2022, Nuclear Medicine and Biology) utilized 3,5-Difluoro-4-iodoaniline as a precursor for ¹⁸F-labeled probes targeting tau fibrils. The iodine atom allowed efficient isotopic exchange with ¹⁸F under mild conditions (60°C, 15 min, 85% RCY), showcasing advantages over traditional prosthetic group approaches.

Analytical advancements include a novel UPLC-MS/MS method (2023, Analytical Chemistry) for quantifying trace impurities in bulk samples. The method achieved LOD of 0.02 ppm for related halogenated anilines using a HILIC column (2.1 × 100 mm, 1.7 μm) with 0.1% formic acid/acetonitrile gradient elution.

Ongoing challenges include optimizing large-scale synthesis (current yields ~65% via Sandmeyer reaction) and addressing the compound's photolability. A 2023 patent (WO2023187542) discloses improved stabilization through co-crystallization with ascorbic acid derivatives, enhancing shelf-life from 3 to 18 months under ambient conditions.

Future directions focus on exploiting its unique halogen bonding capabilities for protein-ligand interactions, particularly in allosteric modulator design. Computational studies (2023, J. Chem. Inf. Model.) predict strong σ-hole interactions with carbonyl oxygens (binding energy -5.2 kcal/mol), suggesting potential in targeting protein-protein interfaces.

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