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6710-92-5 Usage

General Description

1,3,4,6,7,9,9b-Heptaazaphenalene,2,5,8- trichloro- is a chemical compound with the molecular formula C7H3Cl3N7. It is a highly chlorinated derivative of the azaphenalenyl family, containing seven nitrogen atoms and three chlorine atoms. 1,3,4,6,7,9,9b-Heptaazaphenalene,2,5,8- trichloro- is used in various chemical reactions and is known for its strong aromatic character and unique reactivity. Its specific properties and applications may vary depending on the context in which it is used, but it is generally recognized as a potentially useful building block for the synthesis of more complex organic molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 6710-92-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,7,1 and 0 respectively; the second part has 2 digits, 9 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 6710-92:
(6*6)+(5*7)+(4*1)+(3*0)+(2*9)+(1*2)=95
95 % 10 = 5
So 6710-92-5 is a valid CAS Registry Number.

6710-92-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name heptazine chloride

1.2 Other means of identification

Product number -
Other names trichloro-s-heptazine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:6710-92-5 SDS

6710-92-5Synthetic route

phosphorus pentachloride
10026-13-8, 874483-75-7

phosphorus pentachloride

cyameluric acid tripotassium salt

cyameluric acid tripotassium salt

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

Conditions
ConditionsYield
In neat (no solvent) at 220℃; for 24h; Sealed tube;92%
cyameluric acid tripotassium salt

cyameluric acid tripotassium salt

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

Conditions
ConditionsYield
With phosphorus pentachloride at 130℃; under 0.075006 Torr; for 10h;91%
With phosphorus pentachloride at 130℃; for 8h; Schlenk technique;82%
With phosphorus pentachloride; trichlorophosphate at 110℃; for 6h; Inert atmosphere;68%
cyamelluric acid
1502-46-1

cyamelluric acid

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

Conditions
ConditionsYield
With phosphorus pentachloride at 218℃;
With phosphorus pentachloride; trichlorophosphate for 6h; Product distribution / selectivity; Heating / reflux;
With phosphorus pentachloride; trichlorophosphate
melem
1502-47-2

melem

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: potassium hydroxide / water / 6 h / 160 °C / Schlenk technique
2: phosphorus pentachloride / 31 h / 100 - 140 °C / Sealed tube
View Scheme
2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

diphenylphosphane
829-85-6

diphenylphosphane

2,5,8-tris(diphenylphosphanyl)-tri-s-triazine

2,5,8-tris(diphenylphosphanyl)-tri-s-triazine

Conditions
ConditionsYield
In 1,3,5-trimethyl-benzene Inert atmosphere;100%
2-ethylhexyl 4-aminobenzoate
26218-04-2

2-ethylhexyl 4-aminobenzoate

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

2,5,8-tris-(4-(2-ethylhexyloxycarbonyl)phenylamino)-1,3,4,6,7,9,9b-heptaazaphenalene

2,5,8-tris-(4-(2-ethylhexyloxycarbonyl)phenylamino)-1,3,4,6,7,9,9b-heptaazaphenalene

Conditions
ConditionsYield
In toluene for 1h; Heating / reflux;97%
In toluene for 1h; Heating / reflux;97%
4-amino-benzoic acid butyl ester
94-25-7

4-amino-benzoic acid butyl ester

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

2,5,8-tris-(4-(butoxycarbonyl)phenylamino)-1,3,4,6,7,9,9b-heptaazaphenalene

2,5,8-tris-(4-(butoxycarbonyl)phenylamino)-1,3,4,6,7,9,9b-heptaazaphenalene

Conditions
ConditionsYield
In toluene at 110℃; for 0.5h; Heating / reflux;96%
In toluene at 110℃; for 0.5h; Heating / reflux;96%
2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

5-aminoisophthalic acid
99-31-0

5-aminoisophthalic acid

2,5,8-tris-(3,5-dicarboxylphenylamino)-s-heptazine acid

2,5,8-tris-(3,5-dicarboxylphenylamino)-s-heptazine acid

Conditions
ConditionsYield
With hydrogenchloride; sodium hydrogencarbonate; sodium hydroxide In 1,4-dioxane; water at 100℃; for 24h; pH=2;94%
2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

chlorobenzene
108-90-7

chlorobenzene

2,5,8-tris(4-chlorophenyl)-1,3,4,6,7,9,9b-heptaazaphenalene

2,5,8-tris(4-chlorophenyl)-1,3,4,6,7,9,9b-heptaazaphenalene

Conditions
ConditionsYield
With aluminum (III) chloride In neat (no solvent) at 0 - 20℃; for 12.5h; Friedel-Crafts Alkylation;89%
2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

2,4,6-tribromophenol
118-79-6

2,4,6-tribromophenol

C24H6Br9N7O3

C24H6Br9N7O3

Conditions
ConditionsYield
With triethylamine In 1,4-dioxane at 120℃; for 24h; Concentration; Reagent/catalyst; Temperature;87.1%
iodoacetonitrile
624-75-9

iodoacetonitrile

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

C12H6N10

C12H6N10

Conditions
ConditionsYield
Stage #1: 2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene With n-butyllithium In tetrahydrofuran at -78 - 20℃; for 1.75h;
Stage #2: iodoacetonitrile With iodine In tetrahydrofuran at -78℃;
86.4%
2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

diethylamine
109-89-7

diethylamine

2,5,8-tris(diethylamino)-1,3,4,6,7,9,9b-heptaazaphenalene

2,5,8-tris(diethylamino)-1,3,4,6,7,9,9b-heptaazaphenalene

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 2h;86%
at 100℃; for 72h;15%
diisobutylamine
110-96-3

diisobutylamine

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

C22H36ClN9

C22H36ClN9

Conditions
ConditionsYield
In tetrahydrofuran at -95℃;85%
di-p-tolylamine
620-93-9

di-p-tolylamine

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

hexa-4-tolylmelem
1256354-13-8

hexa-4-tolylmelem

Conditions
ConditionsYield
In xylene at 80℃; for 15h;84%
1,1,1-trifluoro-2-iodoethane
353-83-3

1,1,1-trifluoro-2-iodoethane

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

C12H6F9N7

C12H6F9N7

Conditions
ConditionsYield
Stage #1: 2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene With n-butyllithium In tetrahydrofuran at -78 - 20℃; for 1.75h;
Stage #2: 1,1,1-trifluoro-2-iodoethane With iodine In tetrahydrofuran at -78℃;
83.5%
2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

toluene
108-88-3

toluene

2,5,8-tri(p-methylbenzene)-1,3,4,6,7,9,9b-heptaazaphenalene

2,5,8-tri(p-methylbenzene)-1,3,4,6,7,9,9b-heptaazaphenalene

Conditions
ConditionsYield
With aluminum (III) chloride at 60℃; for 0.5h;83%
Stage #1: 2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene; toluene With aluminum (III) chloride at 65℃;
Stage #2: With water In toluene
22%
2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
6710-92-5

2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

naphthalen-2-ylamine
91-59-8

naphthalen-2-ylamine

2,5,8-tris-(naphthalen-2-ylamino)-1,3,4,6,7,9,9b-heptaazaphenalene

2,5,8-tris-(naphthalen-2-ylamino)-1,3,4,6,7,9,9b-heptaazaphenalene

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In 1,4-dioxane at 120℃; for 0.166667h;79%
With diisopropylamine In 1,4-dioxane at 120℃; for 0.166667h; Microwave oven;79%

6710-92-5Relevant articles and documents

Heptazine: an Electron-Deficient Fluorescent Core for Discotic Liquid Crystals

Bala, Indu,Singh, Harpreet,Battula, Venugopala Rao,Gupta, Santosh Prasad,De, Joydip,Kumar, Sunil,Kailasam, Kamalakannan,Pal, Santanu Kumar

, p. 14718 - 14722 (2017)

Herein, room-temperature discotic liquid crystals based on heptazine, an electron deficient central core, are reported for the first time. Mesomorphic behaviors of the materials are also investigated. Supramolecular assembly of the mesophase derivatives were confirmed by X-ray scattering experiments. Heptazine-based solid thin films are strong blue light emitters, whereas in the solution state, they are weakly emissive or non-emissive. The band gap energy is found to be low in this class of compounds. Formation of room-temperature mesophases, low band-gap behavior, and strong blue-light emission in the solid state are promising attributes for optoelectronic applications of the materials.

Tri-s-triazine derivatives. Part I. From trichloro-tri-s-triazine to graphitic C3N4 structures

Kroke, Edwin,Schwarz, Marcus,Horath-Bordon, Elisabeth,Kroll, Peter,Noll, Bruce,Norman, Arlan D.

, p. 508 - 512 (2002)

The first detailed structural characterisation of a functionalised tri-s-triazine derivative, trichloro-tri-s-triazine, is reported, which is a promising starting material for numerous compounds including graphitic C3N4 phases. DFT calculations show that a C3N4 structure based on tri-s-triazine should exist and that it is ~30 kJ mol-1 more stable than the previously reported C3N4 phase of lowest energy.

-

Redemann,Lucas

, p. 842,844 (1940)

-

Synthesis of some heptazine derivatives

Krūkle-Bērzi?a, Kristīne,Bērzi??, Kārlis,Shubin, Kirill

, p. 1281 - 1284 (2019)

[Figure not available: see fulltext.] New derivatives of heptazine were prepared from 2,5,8-trichloroheptazine by a Friedel–Crafts reaction and Pd-catalyzed amination. New triamino-substituted heptazine derivative represents a soluble carbon nitride monomeric unit suitable for the assembly of metal–organic and covalent–organic frameworks. Aromatic substituents in heptazine ring can be displaced by an alkylamine in a pseudo-nucleophilic substitution reaction.

Integrating active C3N4moieties in hydrogen-bonded organic frameworks for efficient photocatalysis

Li, Tao,Liu, Bai-Tong,Fang, Zhi-Bin,Yin, Qi,Wang, Rui,Liu, Tian-Fu

supporting information, p. 4687 - 4691 (2021/03/09)

Hydrogen-bonded organic frameworks (HOFs) provide a platform to self-assemble numerous functional species into an ordered structure. Herein, a well-known photoactive C3N4moiety was integrated into an HOF structure (PFC-42) with the merits of high porosity and crystallinity. Under visible-light irradiation, the Pt nanoparticle-loaded PFC-42 (PFC-42-Pt) continuously produces hydrogen from water in the presence of scavengers with the evolution rate of 11.32 mmol g?1, which is outstanding among all the reported Pt/porous composite materials. The significantly high H2evolution of PFC-42-Pt compared with that of amorphous analogue bulk C3N4-Pt and nanosheet C3N4-Pt demonstrates that the ordered arrangement of photosensitizers dramatically improves the photocatalytic activity of the material, which is further proved by the recrystallization experiment. This study represents the first example of HOF capable of photocatalysis, not only demonstrating the great application potentials of HOF in heterogeneous photocatalysis but also rendering an excellent opportunity to reveal structure-activity relations.

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