Cas no 139152-08-2 (4,5-Dichlorophthalonitrile)

4,5-Dichlorophthalonitrile is a high-purity organic compound primarily used as an intermediate in the synthesis of advanced materials, including phthalocyanine dyes and pigments. Its dichloro-substituted structure enhances reactivity, making it valuable for cross-coupling reactions and polymerization processes. The compound exhibits excellent thermal and chemical stability, ensuring consistent performance in demanding applications. Its precise molecular design allows for tailored modifications in specialty chemicals, particularly in electronics and coatings industries. Available in crystalline form, it meets stringent purity standards, minimizing impurities that could interfere with downstream processes. Suitable for research and industrial use, 4,5-Dichlorophthalonitrile is a critical building block for functional materials requiring controlled halogenation.

4,5-Dichlorophthalonitrile structure

Product Name:4,5-Dichlorophthalonitrile

CAS No:139152-08-2

MF:C₈H₂Cl₂N₂

MW:197.020879268646

MDL:MFCD00191408

CID:134554

PubChem ID:87568629

Update Time:2025-05-24

4,5-Dichlorophthalonitrile Chemical and Physical Properties

Names and Identifiers

- 4,5-Dichlorophthalonitrile
- 1,2-Benzenedicarbonitrile,4,5-dichloro-
- 1,2-Dichloro-4,5-dicyanobenzene
- 4,5-dichlorobenzene-1,2-dicarbonitrile
- 4,5-Dichlorophthalodinitrile
- MDL： MFCD00191408
- Inchi： 1S/C8H2Cl2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H
- InChI Key： SRIJSZQFAMLVQV-UHFFFAOYSA-N
- SMILES： ClC1C(=CC(C#N)=C(C#N)C=1)Cl

Computed Properties

Exact Mass: 195.96000
Monoisotopic Mass: 195.96
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 12
Rotatable Bond Count: 0
Complexity: 231
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
Molecular Weight: 197.02
Surface Charge: 0
Tautomer Count: nothing
XLogP3: 2.6
Topological Polar Surface Area: 47.6A^2

Experimental Properties

Color/Form: Not determined
Density: 1.48±0.1 g/cm3 (20 oC 760 Torr),
Melting Point: 182.0 to 185.0 deg-C
Boiling Point: 312.4°Cat760mmHg
Flash Point: 141.1°C
Refractive Index: 1.603
Solubility: Almost insoluble (0.026 g/l) (25 o C),
PSA: 47.58000
LogP: 2.73676
Solubility: Not determined

4,5-Dichlorophthalonitrile Security Information

Symbol:
Prompt：dangerous
Signal Word：Warning
Hazard Statement： H301+H311+H331-H315-H319
Warning Statement： P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Hazardous Material transportation number：NONH for all modes of transport
WGK Germany：3
Hazard Category Code： 20/21/22-36/37/38
Safety Instruction： S26-S36
Hazardous Material Identification：
HazardClass：6.1
PackingGroup：III
Risk Phrases：R20/21/22

4,5-Dichlorophthalonitrile Customs Data

HS CODE：2926909090
Customs Data：

China Customs Code:
2926909090

Overview:

2926909090 Other nitrile based compounds. 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:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4,5-Dichlorophthalonitrile Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Chemenu	CM373163-5g	4,5-Dichlorophthalonitrile	139152-08-2	95%+	5g	$95	2022-06-13
Chemenu	CM373163-25g	4,5-Dichlorophthalonitrile	139152-08-2	95%+	25g	$475	2022-06-13
Apollo Scientific	OR1063-250mg	4,5-Dichlorophthalonitrile	139152-08-2	95%	250mg	￡28.00	2025-02-19
Apollo Scientific	OR1063-1g	4,5-Dichlorophthalonitrile	139152-08-2	95%	1g	￡100.00	2025-02-19
Apollo Scientific	OR1063-5g	4,5-Dichlorophthalonitrile	139152-08-2	95%	5g	￡350.00	2025-02-19
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	X40775-1g	4,5-Dichlorophthalonitrile	139152-08-2	95%	1g	￥194.0	2023-09-05
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	X40775-250mg	4,5-Dichlorophthalonitrile	139152-08-2	95%	250mg	￥106.0	2023-09-05
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	X40775-5g	4,5-Dichlorophthalonitrile	139152-08-2	95%	5g	￥552.0	2023-09-05
TRC	D435470-250mg	4,5-Dichlorophthalonitrile	139152-08-2		250mg	$64.00	2023-05-18
TRC	D435470-1g	4,5-Dichlorophthalonitrile	139152-08-2		1g	$ 80.00	2022-06-05

4,5-Dichlorophthalonitrile Production Method

4,5-Dichlorophthalonitrile Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:139152-08-2)4,5-Dichlorophthalonitrile

Order Number:A856842

Stock Status:in Stock

Quantity:25g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 08:02

Price ($):308.0

Email:[email protected]

Product Official Link

4,5-Dichlorophthalonitrile Related Literature

1. Effects of peripheral substitutions on the singlet oxygen quantum yields of monophthalocyaninato ytterbium(iii) complexes

Quanquan Zhang,Guoe Cheng,Hanzhong Ke,Xunjin Zhu,Nianyong Zhu,Wai-Yeung Wong,Wai-Kwok Wong RSC Adv. 2015 5 22294
2. Halide effect in electron rich and deficient discotic phthalocyanines

Mohamed Ahmida,Raymond Larocque,M. Sharif Ahmed,Alina Vacaru,Bertrand Donnio,Daniel Guillon,S. Holger Eichhorn J. Mater. Chem. 2010 20 1292
3. Water-soluble carboranyl-phthalocyanines for BNCT. Synthesis, characterization, and in vitro tests of the Zn(ii)-nido-carboranyl-hexylthiophthalocyanine

Daniela Pietrangeli,Angela Rosa,Antonietta Pepe,Saverio Altieri,Silva Bortolussi,Ian Postuma,Nicoletta Protti,Cinzia Ferrari,Laura Cansolino,Anna Maria Clerici,Elisa Viola,Maria Pia Donzello,Giampaolo Ricciardi Dalton Trans. 2015 44 11021
4. Synthesis of soluble halogenated aryloxy substituted indium phthalocyanines

M. John Plater,Adam Jeremiah,Grant Bourhill J. Chem. Soc. Perkin Trans. 1 2002 91
5. Synthesis, characterization and nonlinear absorption of novel octakis-POSS substituted metallophthalocyanines and strong optical limiting property of CuPc

Tanju Ceyhan,Mustafa Yüksek,H. Gül Ya?l?o?lu,Bekir Salih,Mehmet K. Erbil,Ayhan Elmal?,?zer Bekaro?lu Dalton Trans. 2008 2407

Related Categories

Additional information on 4,5-Dichlorophthalonitrile

Recent Advances in the Study of 4,5-Dichlorophthalonitrile (CAS: 139152-08-2) and Its Applications in Chemical Biology and Medicine

4,5-Dichlorophthalonitrile (CAS: 139152-08-2) is a key intermediate in the synthesis of phthalocyanines, a class of compounds with significant applications in chemical biology and medicine. Recent studies have highlighted its role in the development of photosensitizers for photodynamic therapy (PDT), fluorescent probes for bioimaging, and advanced materials for drug delivery systems. This research brief consolidates the latest findings on 4,5-Dichlorophthalonitrile, focusing on its synthesis, functionalization, and biomedical applications.

One of the most notable advancements in the use of 4,5-Dichlorophthalonitrile is its incorporation into phthalocyanine-based photosensitizers. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that derivatives of 4,5-Dichlorophthalonitrile exhibit enhanced photophysical properties, including improved singlet oxygen quantum yields, making them highly effective for PDT in cancer treatment. The study also reported reduced dark toxicity, a critical factor for minimizing side effects in therapeutic applications.

In addition to its therapeutic potential, 4,5-Dichlorophthalonitrile has been explored as a building block for fluorescent probes. Researchers from the University of Cambridge recently developed a novel near-infrared (NIR) probe using this compound, which showed high selectivity for tumor microenvironments. The probe's ability to provide real-time imaging of tumor margins during surgery represents a significant breakthrough in precision medicine.

Another area of interest is the use of 4,5-Dichlorophthalonitrile in the synthesis of metal-organic frameworks (MOFs). A 2024 paper in Advanced Materials detailed the creation of a MOF with exceptional drug-loading capacity and controlled release properties. The MOF, synthesized using 4,5-Dichlorophthalonitrile as a linker, demonstrated high stability under physiological conditions, making it a promising candidate for targeted drug delivery systems.

Despite these advancements, challenges remain in the large-scale production and purification of 4,5-Dichlorophthalonitrile. Recent efforts have focused on optimizing synthetic routes to improve yield and reduce environmental impact. For instance, a green chemistry approach published in ACS Sustainable Chemistry & Engineering in 2023 reported a solvent-free synthesis method that achieved a 90% yield while minimizing waste generation.

In conclusion, 4,5-Dichlorophthalonitrile (CAS: 139152-08-2) continues to be a versatile and valuable compound in chemical biology and medicine. Its applications in PDT, bioimaging, and drug delivery underscore its potential to address critical challenges in healthcare. Future research should focus on scaling up production methods and further exploring its biomedical applications to fully realize its therapeutic potential.

139152-08-2 (4,5-Dichlorophthalonitrile) Related Products

Recommended suppliers