1073-62-7|Benzylhydrazine hydrochloride| Ambeed

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Product Citations Show More

Open-circuit voltage improvement of wide-bandgap perovskite solar cells

Ying, Xingjian ;

DOI: 10.17615/5sh4-sr95 University of North Carolina at Chapel Hill,2025.

Abstract: To make photovoltaic technology more competitive in the market, the levelized cost of electricity (LCOE) must be sufficiently low. Currently, other costs of the solar system dominate the price, instead of modules, so that making improvements in efficiency of solar cells becomes an effective way for further lowering LCOE. While single-junction solar cells have nearly reached their efficiency limits, tandem structures have become a practical choice. Perovskite is a promising material to serve as the wide-bandgap component in tandem devices. However, open-circuit voltage (V_OC) of wide-bandgap perovskite solar cells still suffers from a significant deficit. In this thesis, perovskite/C₆₀ interface is identified as a major source of additional non-radiative recombination. Sub-bandgap states could form after perovskite contact with C₆₀, leading to additional recombination losses. Insertion of a thin interlayer helps passivate the perovskite surface and reduce non-radiative recombination at the interface, resulting in device V_OC up to 1.284 V for 1.67-eV-perovskites.

Purchased from AmBeed: 1073-62-7

Multifunctional entinostat enhances the mechanical robustness and efficiency of flexible perovskite solar cells and minimodules

Wenzhan Xu ; Bo Chen ; Zhao Zhang ; Ye Liu ; Yeming Xian ; Xiaoming Wang , et al.

DOI: 10.1038/s41566-023-01373-z Nat. Photonics,2024,18,379-387.

Abstract: Flexible perovskite solar cells have attracted substantial attention owing to their promises for soft and high power–weight compatibility. However, the inferior quality of the buried perovskite–substrate interface due to low interfacial adhesion and large deformation of flexible substrates have greatly limited the performance of flexible perovskite solar cells. Here we add the organic molecule entinostat into the hole extraction material poly(bis(4-phenyl)(2,4,6-trimethylphenyl)amine) to enhance adhesion at the perovskite–substrate interface using the interaction of entinostat with perovskites, poly(bis(4-phenyl)(2,4,6-trimethylphenyl)amine) and indium tin oxide through its multiple functional groups. In addition, entinostat reduces the density of voids at the bottom of the perovskite film owing to its capability to tune the crystallization of perovskites. We demonstrate inverted small-area flexible perovskite solar cells with a power conversion efficiency of 23.4%. Flexible perovskite minimodules with an area of 9 cm2 achieve a certified aperture efficiency of ~19.0%. The optimized unencapsulated flexible minimodule retains 84% of its initial efficiency after 5,000 bending cycles and 90% of the initial power conversion efficiency after light soaking for >750 h.

Purchased from AmBeed: 1073-62-7

Iodide manipulation using zinc additives for efficient perovskite solar minimodules

Md Aslam Uddin ; Prem Jyoti Singh Rana ; Zhenyi Ni ; Guang Yang ; Mingze Li ; Mengru Wang , et al.

DOI: 10.1038/s41467-024-45649-6 PubMed ID: 38355596 Nat. Commun.,2024,15(1):1355.

Abstract: Interstitial iodides are the most critical type of defects in perovskite solar cells that limits efficiency and stability. They can be generated during solution, film, and device processing, further accelerating degradation. Herein, we find that introducing a small amount of a zinc salt- zinc trifluoromethane sulfonate (Zn(OOSCF3)2) in the perovskite solution can control the iodide defects in resultant perovskites ink and films. CF3SOO̶ vigorously suppresses molecular iodine formation in the perovskites by reducing it to iodide. At the same time, zinc cations can precipitate excess iodide by forming a Zn-Amine complex so that the iodide interstitials in the resultant perovskite films can be suppressed. The perovskite films using these additives show improved photoluminescence quantum efficiency and reduce deep trap density, despite zinc cations reducing the perovskite grain size and iodide interstitials. The zinc additives facilitate the formation of more uniform perovskite films on large-area substrates (78-108 cm2) in the blade-coating process. Fabricated minimodules show power conversion efficiencies of 19.60% and 19.21% with aperture areas of 84 and 108 cm2, respectively, as certified by National Renewable Energy Laboratory (NREL), the highest efficiency certified for minimodules of these sizes.

Purchased from AmBeed: 1073-62-7

Enhancing Photostability of Sn-Pb Perovskite Solar Cells by an Alkylammonium Pseudo-Halogen Additive

Wang, Jiantao ; Uddin, Aslam Md ; Chen, Bo ; Ying, Xingjian ; Ni, Zhenyi ; Zhou, Ying , et al.

DOI: 10.1002/aenm.202204115 Adv. Energy Mater.,2023,13(15):2204115.

Abstract: High-performance tin-lead perovskite solar cells (PSCs) are needed for all-perovskite-tandem solar cells. However, iodide related fast photodegradation severely limits the operational stability of Sn-Pb perovskites despite the demonstrated high efficiency and thermal stability. Herein, this work employs an alkylammonium pseudo-halogen additive to enhance the power conversion efficiency (PCE) and photostability of methylammonium (MA)-free, Sn-Pb PSCs. D. functional theory (DFT) calculations reveal that the pseudo-halogen tetrafluoroborate (BF4-) has strong binding capacity with metal ions (Sn2+/Pb2+) in the Sn-Pb perovskite lattice, which lowers iodine vacancy formation. Upon combining BF4- with an octylammonium (OA+) cation, the PCE of the device with a built-in light-scattering layer is boosted to 23.7%, which represents a new record for Sn-Pb PSCs. The improved efficiency benefits from the suppressed defect d. Under continuous 1 sun illumination, the OABF4 embodied PSCs show slower generation of interstitial iodides and iodine, which greatly improves the device photostability under open-circuit condition. Moreover, the device based on OABF4 retains 88% of the initial PCE for 1000 h under the maximum-power-point tracking (MPPT) without cooling.

Keywords: efficiency ; photostability ; pseudo-halogens ; Sn-Pb perovskites ; solar cells

Purchased from AmBeed: 1073-62-7

Efficient monolithic all-perovskite tandem solar modules with small cell-to-module derate

Dai, Xuezeng ; Chen, Shangshang ; Jiao, Haoyang ; Zhao, Liang ; Wang, Ke ; Ni, Zhenyi , et al.

DOI: 10.1038/s41560-022-01102-w Nat. Energy,2022,7(10):923-931.

Abstract: All-perovskite tandem solar modules are promising to reduce the cost of photovoltaic systems with their high efficiency and solution fabrication, but their sensitivity to air still imposes a great challenge. Here a hot gas-assisted blading method is developed to accelerate the perovskite solidification, forming compact and thick narrow bandgap (NBG) perovskite films. Adding a reduction agent into NBG films followed by a short period of air exposure and a post-fabrication storage surprisingly increases carrier recombination lifetime and enables laser scribing in ambient conditions without obvious loss of device performance. This combination suppresses tin and iodide oxidation and forms a thin SnO2 layer on the NBG film surface. Monolithic all-perovskite tandem solar modules showed a champion efficiency of 21.6% with a 14.3 cm2 aperture area, corresponding to an active area efficiency of 23.0%. The very small cell-to-module derate of 6.5% demonstrates the advantage of a tandem monolithic structure for solar modules.

Purchased from AmBeed: 1073-62-7

Product Details of [ 1073-62-7 ]

CAS No. :	1073-62-7
Formula :	C₇H₁₁ClN₂
M.W :	158.63
SMILES Code :	Cl.NNCC1=CC=CC=C1
MDL No. :	MFCD01722685
InChI Key :	PRBLRLQZOKOQCQ-UHFFFAOYSA-N
Pubchem ID :	14084

Safety of [ 1073-62-7 ]

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H301-H315-H319
Precautionary Statements:	P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P405
Class:	6.1
UN#:	2811
Packing Group:	Ⅲ

Computational Chemistry of [ 1073-62-7 ] Show Less

Physicochemical Properties

Num. heavy atoms	10
Num. arom. heavy atoms	6
Fraction Csp3	0.14
Num. rotatable bonds	2
Num. H-bond acceptors	2.0
Num. H-bond donors	2.0
Molar Refractivity	43.88
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	38.05 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	0.0
Log P_o/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry	1.57
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	1.3
Log P_o/w (MLOGP)? MLOGP: Topological method implemented from Moriguchi I. et al. 1992 Chem. Pharm. Bull. Moriguchi I. et al. 1994 Chem. Pharm. Bull. Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.	1.76
Log P_o/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	0.67
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	1.06

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-2.12
Solubility	1.19 mg/ml ; 0.00751 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble
Log S (Ali)? Ali: Topological method implemented from Ali J. et al. 2012 J. Chem. Inf. Model.	-1.98
Solubility	1.66 mg/ml ; 0.0105 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Very soluble
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	-2.45
Solubility	0.565 mg/ml ; 0.00356 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble

Pharmacokinetics

GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg	High
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg	Yes
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) and tested on 415 molecules (test set) 10-fold CV: ACC=0.72 / AUC=0.77 External: ACC=0.88 / AUC=0.94	No
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.83 / AUC=0.90 External: ACC=0.84 / AUC=0.91	No
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.80 / AUC=0.86 External: ACC=0.80 / AUC=0.87	No
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) and tested on 2075 molecules (test set) 10-fold CV: ACC=0.78 / AUC=0.85 External: ACC=0.71 / AUC=0.81	No
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) and tested on 1068 molecules (test set) 10-fold CV: ACC=0.79 / AUC=0.85 External: ACC=0.81 / AUC=0.87	No
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) and tested on 2579 molecules (test set) 10-fold CV: ACC=0.77 / AUC=0.85 External: ACC=0.78 / AUC=0.86	No
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from Potts RO and Guy RH. 1992 Pharm. Res.	-6.15 cm/s

Druglikeness

Lipinski? Lipinski (Pfizer) filter: implemented from Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev. MW ≤ 500 MLOGP ≤ 4.15 N or O ≤ 10 NH or OH ≤ 5	0.0
Ghose? Ghose filter: implemented from Ghose AK. et al. 1999 J. Comb. Chem. 160 ≤ MW ≤ 480 -0.4 ≤ WLOGP ≤ 5.6 40 ≤ MR ≤ 130 20 ≤ atoms ≤ 70	None
Veber? Veber (GSK) filter: implemented from Veber DF. et al. 2002 J. Med. Chem. Rotatable bonds ≤ 10 TPSA ≤ 140	0.0
Egan? Egan (Pharmacia) filter: implemented from Egan WJ. et al. 2000 J. Med. Chem. WLOGP ≤ 5.88 TPSA ≤ 131.6	0.0
Muegge? Muegge (Bayer) filter: implemented from Muegge I. et al. 2001 J. Med. Chem. 200 ≤ MW ≤ 600 -2 ≤ XLOGP ≤ 5 TPSA ≤ 150 Num. rings ≤ 7 Num. carbon > 4 Num. heteroatoms > 1 Num. rotatable bonds ≤ 15 H-bond acc. ≤ 10 H-bond don. ≤ 5	1.0
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat implemented from Martin YC. 2005 J. Med. Chem.	0.55

Medicinal Chemistry

PAINS? Pan Assay Interference Structures: implemented from Baell JB. & Holloway GA. 2010 J. Med. Chem.	0.0 alert
Brenk? Structural Alert: implemented from Brenk R. et al. 2008 ChemMedChem	1.0 alert: heavy_metal
Leadlikeness? Leadlikeness: implemented from Teague SJ. 1999 Angew. Chem. Int. Ed. 250 ≤ MW ≤ 350 XLOGP ≤ 3.5 Num. rotatable bonds ≤ 7	No; 1 violation:MW<1.0
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties, trained on 12'782'590 molecules and tested on 40 external molecules (r² = 0.94)	1.0

Application In Synthesis of [ 1073-62-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 1073-62-7 ]

[ 1073-62-7 ] Synthesis Path-Downstream 1~3

1
[ 1073-62-7 ]
[ 17823-69-7 ]
5-amino-1-benzyl-4-carboxamido-3-(methylthio)pyrazole [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2004,vol. 47,p. 5894 - 5911.

2
[ 5926-51-2 ]
[ 1073-62-7 ]
[ 957133-21-0 ]
[ 957133-23-2 ]

References: [1]Tetrahedron Letters,2007,vol. 48,p. 7817 - 7820.

3
[ 1073-62-7 ]
[ 1218-69-5 ]
[ 201530-47-4 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In ethanol;	EXAMPLE 10 3,5-Bis(2-hydroxyphenyl)-1-benzyl-1H-[1,2,4]triazole 5.0 g of <strong>[1218-69-5]2-(2-hydroxyphenyl)benz[e][1,3]oxazin-4-one</strong> are boiled under reflux for 4 h with 3.4 g of benzylhydrazine hydrochloride and 5.9 ml of triethylamine in 50 ml of ethanol. The mixture is cooled, poured onto water and extracted with ethyl acetate. The combined organic phases are dried over sodium sulfate and concentrated on a rotary evaporator. The residue is crystallized from isopropanol. After drying, 3,5-bis(2-hydroxyphenyl)-1-benzyl-1H-[1,2,4]triazole remains as colorless crystals of m.p. 166-168 C.

References: [1]Patent: US6465504,2002,B1 .

Historical Records

Technical Information

• Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Hydride Reductions • Leuckart-Wallach Reaction • Mannich Reaction • Petasis Reaction • Preparation of Amines • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Specialized Acylation Reagents-Vilsmeier Reagent • Ugi Reaction

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H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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CAS No.: 1073-62-7

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CAS No.: 1073-62-7

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