Cas no 18967-41-4 (2,4-Dichlorobenzyl Isothiocyanate)
2,4-Dichlorobenzyl Isothiocyanate Chemical and Physical Properties
Names and Identifiers
-
- Benzene,2,4-dichloro-1-(isothiocyanatomethyl)-
- 2,4-Dichlorobenzyl isothiocyanate
- 2,4-dichloro-1-(isothiocyanatomethyl)benzene
- Benzene, 2,4-dichloro-1-(isothiocyanatomethyl)-
- DTXSID60172378
- FS-4740
- JZHPXEMPVDMDFB-UHFFFAOYSA-N
- 2-(3-OXO-PIPERAZINE-1-CARBONYL)-BENZOICACID
- 18967-41-4
- A813343
- 2,4-Dichloro-1-(isothiocyanatomethyl)benzene #
- SCHEMBL3365419
- AKOS015850179
- FT-0637772
- 2,4-Dichlorobenzyl isothiocyate, 99%
- DTXCID0094869
- DB-019911
- 2,4-Dichlorobenzyl Isothiocyanate
-
- MDL: MFCD00046818
- Inchi: 1S/C8H5Cl2NS/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3H,4H2
- InChI Key: JZHPXEMPVDMDFB-UHFFFAOYSA-N
- SMILES: ClC1C=C(C=CC=1CN=C=S)Cl
Computed Properties
- Exact Mass: 216.95200
- Monoisotopic Mass: 216.951975
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 192
- 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: 4.8
- Topological Polar Surface Area: 44.4
Experimental Properties
- Density: 1.32
- Melting Point: 26 °C
- Boiling Point: 120 °C
- Flash Point: 141.2°C
- PSA: 44.45000
- LogP: 3.59620
2,4-Dichlorobenzyl Isothiocyanate Customs Data
- HS CODE:2930909090
- Customs Data:
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
2,4-Dichlorobenzyl Isothiocyanate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D438475-25mg |
2,4-Dichlorobenzyl Isothiocyanate |
18967-41-4 | 25mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D438475-50mg |
2,4-Dichlorobenzyl Isothiocyanate |
18967-41-4 | 50mg |
$ 65.00 | 2022-06-05 | ||
| TRC | D438475-250mg |
2,4-Dichlorobenzyl Isothiocyanate |
18967-41-4 | 250mg |
$ 80.00 | 2022-06-05 | ||
| Fluorochem | 018521-2g |
2,4-Dichlorobenzyl isothiocyanate |
18967-41-4 | 99% | 2g |
£59.00 | 2022-03-01 | |
| Fluorochem | 018521-10g |
2,4-Dichlorobenzyl isothiocyanate |
18967-41-4 | 99% | 10g |
£238.00 | 2022-03-01 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 056700-1g |
2,4-Dichlorobenzyl isothiocyanate |
18967-41-4 | 99% | 1g |
552.0CNY | 2021-07-13 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 056700-1g |
2,4-Dichlorobenzyl isothiocyanate |
18967-41-4 | 99% | 1g |
552CNY | 2021-05-07 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | J20_018521-2g |
2,4-Dichlorobenzyl isothiocyanate |
18967-41-4 | nan | 2g |
¥1298.00 | 2025-04-17 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | J20_018521-10g |
2,4-Dichlorobenzyl isothiocyanate |
18967-41-4 | nan | 10g |
¥5236.00 | 2025-04-17 | |
| A2B Chem LLC | AB11068-1g |
Benzene, 2,4-dichloro-1-(isothiocyanatomethyl)- |
18967-41-4 | 98%(GC) | 1g |
$159.00 | 2024-04-20 |
2,4-Dichlorobenzyl Isothiocyanate Suppliers
2,4-Dichlorobenzyl Isothiocyanate Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
Additional information on 2,4-Dichlorobenzyl Isothiocyanate
Comprehensive Overview of 2,4-Dichlorobenzyl Isothiocyanate (CAS No. 18967-41-4): Properties, Applications, and Industry Insights
2,4-Dichlorobenzyl Isothiocyanate (CAS No. 18967-41-4) is a specialized organic compound belonging to the isothiocyanate family. This compound has garnered significant attention in recent years due to its unique chemical properties and versatile applications across pharmaceuticals, agrochemicals, and material science. With the growing demand for bioactive compounds and synthetic intermediates, researchers and industry professionals are increasingly exploring its potential.
The molecular structure of 2,4-Dichlorobenzyl Isothiocyanate features a benzyl group substituted with two chlorine atoms at the 2 and 4 positions, coupled with a reactive isothiocyanate functional group (-N=C=S). This configuration contributes to its high reactivity, making it a valuable building block for synthesizing heterocyclic compounds and pharmaceutical derivatives. Recent studies highlight its role in developing antimicrobial agents and plant growth regulators, aligning with the global focus on sustainable agriculture and drug discovery.
In the context of green chemistry, 2,4-Dichlorobenzyl Isothiocyanate has been investigated for its potential as an eco-friendly alternative in crop protection formulations. Its mechanism of action, which involves interference with microbial enzymatic pathways, positions it as a candidate for next-generation biopesticides. This aligns with the rising consumer demand for organic farming solutions and reduced synthetic pesticide reliance.
From a synthetic perspective, the compound’s isothiocyanate group enables efficient conjugation with amines and thiols, facilitating the design of targeted drug delivery systems. This property is particularly relevant in cancer research, where isothiocyanate-based prodrugs are being explored for their selective cytotoxicity. Such applications resonate with current trends in precision medicine and personalized therapeutics.
Industrial-scale production of 2,4-Dichlorobenzyl Isothiocyanate requires stringent control over purity and stability, as its reactivity can lead to byproduct formation. Advanced analytical techniques like HPLC and NMR spectroscopy are routinely employed to ensure batch consistency. Quality assurance is critical, especially for pharmaceutical-grade material, where even minor impurities can impact efficacy.
Market analysts note increasing inquiries about CAS No. 18967-41-4 from Asia-Pacific regions, driven by expanding agrochemical manufacturing hubs and government incentives for R&D innovation. Frequently searched questions include "How to synthesize 2,4-Dichlorobenzyl Isothiocyanate?" and "What are the safety protocols for handling isothiocyanates?"—reflecting user interest in both practical synthesis and operational best practices.
Environmental and regulatory considerations are also pivotal. While 2,4-Dichlorobenzyl Isothiocyanate is not classified as hazardous under major regulatory frameworks, proper waste disposal methods must be followed to prevent ecosystem contamination. This underscores the importance of aligning with REACH and EPA guidelines in commercial applications.
In summary, 2,4-Dichlorobenzyl Isothiocyanate (CAS No. 18967-41-4) represents a dynamic intersection of chemistry and innovation. Its multifaceted applications—from drug development to sustainable agriculture—make it a compound of enduring relevance. As research continues to uncover new functionalities, its role in addressing global challenges like food security and disease treatment will likely expand further.
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