ChemicalBook--->CAS DataBase List--->29671-92-9

29671-92-9

29671-92-9 Structure

29671-92-9 Structure
IdentificationBack Directory
[Name]

CHLOROFORMAMIDINE HYDROCHLORIDE
[CAS]

29671-92-9
[Synonyms]

NOLA-007
Nsc233919
ChloroformamidineHCl
urea chloride hydrochloride
chloroformamidinium chloride
Chloroformamide hydrochloride
CHLOROFORMAMIDINE HYDROCHLORIDE
Carbamimidic chloride hydrochloride
Chloroformamidine hydrochloride 98%
ChloroforMaMidine hydrochloride, 98%+
CarbaMiMidic chloride, Monohydrochloride
CARBAMIMIDIC ACID CHLORIDE HYDROCHLORIDE
chloroformamidine hydrochloride CH3ClN2.HCl
Carbamimidic chloride, monohydrochloride (9CI)
Chloroformamidine hydrochloride≥ 98%(Titration)
[EINECS(EC#)]

249-765-4
[Molecular Formula]

CH4Cl2N2
[MDL Number]

MFCD00035527
[MOL File]

29671-92-9.mol
[Molecular Weight]

114.96
Chemical PropertiesBack Directory
[Melting point ]

180°C(lit.)
[density ]

1.5592 (rough estimate)
[refractive index ]

1.6300 (estimate)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

powder to crystal
[color ]

White to Almost white
[InChI]

InChI=1S/CH3ClN2.ClH/c2-1(3)4;/h(H3,3,4);1H
[InChIKey]

FUQFHOLPJJETAP-UHFFFAOYSA-N
[SMILES]

C(Cl)(=N)N.Cl
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P280
[HazardClass ]

IRRITANT
[HS Code ]

2925290090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Sulfuric acid-->Sodium chloride-->Cyanamide-->Hydrochloric acid
[Preparation Products]

2-Chloropyrimidine-5-carbaldehyde-->6-Chloro-quinazoline-2,4-diamine-->2-aMinothieno[2,3-d]pyriMidin-4(3H)-one-->2-amino-6-methylthieno[2,3-d]pyrimidin-4(3H)-one-->6-chloropyrido[3,2-d]pyriMidine-2,4-diaMine-->2-AMINO-5-CHLORO-3H-PYRIMIDO[4,5-B]INDOL-4(9H)-ONE
Hazard InformationBack Directory
[Chemical Properties]

white powder
[Reactions]

In efforts to optimize a manufacturing process for an internal development compound, a clean, efficient approach to guanidine synthesis using chloroformamidine hydrochloride was identified. The successful application of this chemistry to a variety of pyridines, anilines, and heterocyclic compounds highlights its use as an improved, alternative guanylation method for this often challenging set of aromatic amines.[1]
Chloroformamidine Hydrochloride as a Reagent for the Synthesis of Guanidines
[Materials Uses]

An interfacial molecular linker, chloroformamidine hydrochloride (CFA), is introduced to modify the properties of electron transport layers (ETLs) and modulate the interaction between the ETL and perovskite (PVK) layer via coordination/electrostatic coupling. It is found that the CFA molecular linker can passivate the oxygen vacancies/interfacial defects of SnO2 and construct an improved energetic alignment between the ETL and PVK layer. Moreover, unencapsulated PSCs based on CFA-modified SnO2 (CFA@SnO2) ETLs show enhanced thermal and moisture stability compared with PSCs without CFA modification.[2]
[Synthesis]

Cyanamide

420-04-2

Chloroformamidine hydrochloride

29671-92-9

Synthesis of chloroformamidine hydrochloride: cyanamide (50.0 g, 1.19 mol, 1 eq.) was dissolved in diethyl ether (900 ml) and the solution was cooled to 0°C. An ether solution of hydrogen chloride (450 g, 29%) was slowly added while the temperature was kept below +5 °C. After addition, the reaction mixture was continued to be stirred at room temperature for some time. Subsequently, the white precipitate was collected by filtration and dried under vacuum at 30 °C to afford a white solid product, chloroformamidine hydrochloride (132.66 g, 1.15 mol, 96.64% yield).

[References]

[1] IAN ARMITAGE. The Use of Chloroformamidine Hydrochloride as a Reagent for the Synthesis of Guanidines from Electron Deficient Aromatic Amines[J]. Journal of Heterocyclic Chemistry, 2015, 54 1: 728-734. DOI:10.1002/jhet.2567.
[2] LI H, FU P, LU R, et al. Chloroformamidine hydrochloride as a molecular linker towards efficient and stable perovskite solar cells?[J]. Journal of Materials Chemistry C, 2023, 15: 5039-5044. DOI:10.1039/D3TC00637A.
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