4,5-Dichlorophthalonitrile - CAS 139152-08-2

Catalog:	BB008901
Product Name:	4,5-Dichlorophthalonitrile
CAS:	139152-08-2
Synonyms:	4,5-dichlorobenzene-1,2-dicarbonitrile

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4,5-dichlorobenzene-1,2-dicarbonitrile
Description:	4,5-Dichlorophthalonitrile (CAS# 139152-08-2) is used in preparation of zinc sulfonic propane mercapto phthalocyanine complexes and application as photosensitizer and photodynamic drug.
Molecular Weight:	197.02
Molecular Formula:	C8H2Cl2N2
Canonical SMILES:	C1=C(C(=CC(=C1Cl)Cl)C#N)C#N
InChI:	InChI=1S/C8H2Cl2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H
InChI Key:	SRIJSZQFAMLVQV-UHFFFAOYSA-N
Boiling Point:	312.4 ℃ at 760 mmHg
Melting Point:	180-184 ℃ (lit.)
Purity:	95 %
Density:	1.48 g/cm³
MDL:	MFCD00191408
LogP:	2.73676

Publication Number	Title	Priority Date
CN-113461696-A	Porphyrin phthalocyanine covalent dual-functionalized graphene nonlinear nano hybrid material and preparation method thereof	20210416
CN-112500427-A	Detecting Fe3+Fluorescent probe and preparation method and application thereof	20201211
CN-112409365-A	3-sulfopropane sulfydryl modified phthalocyanine, preparation method thereof and application thereof in pharmaceutical field	20201209
CN-112028901-A	Cetyl ammonium group modified phthalocyanine, preparation method thereof and application thereof as photodynamic medicament	20201016
CN-112028901-B	Cetyl ammonium group modified phthalocyanine, preparation method thereof and application thereof as photodynamic medicament	20201016

PMID	Publication Date	Title	Journal
22412514	20120301	4,5-Diphen-oxy-benzene-1,2-dicarbo-nitrile	Acta crystallographica. Section E, Structure reports online
21522449	20110226	4,5-Bis(2,4-di-tert-butyl-phen-oxy)phthalonitrile	Acta crystallographica. Section E, Structure reports online
20223676	20100401	Preparation and in vitro photodynamic activity of amphiphilic zinc(II) phthalocyanines substituted with 2-(dimethylamino)ethylthio moieties and their N-alkylated derivatives	Bioorganic & medicinal chemistry
18461195	20080514	Synthesis, characterization and nonlinear absorption of novel octakis-POSS substituted metallophthalocyanines and strong optical limiting property of CuPc	Dalton transactions (Cambridge, England : 2003)
18354726	20080101	Synthesis and photophysical properties of tetra- and octasubstituted phosphorous oxide triazatetrabenzcorrole photosensitizers	Metal-based drugs

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.9595035
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.9595035
Rotatable Bond Count:	0
Topological Polar Surface Area:	47.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6