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3-(4-Chloro-phenyl)-1H-pyrazole-4-carbaldehyde is a chemical compound characterized by the molecular formula C10H7ClN2O. It is an organic compound that features a pyrazole ring and a chlorophenyl group, known for its potential biological activities and wide-ranging applications in the fields of medicine and chemistry.

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  • 350997-67-0 Structure
  • Basic information

    1. Product Name: 3-(4-CHLORO-PHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
    2. Synonyms: ART-CHEM-BB B000242;CHEMBRDG-BB 4300299;AKOS B000242;AKOS PAO-0295;3-(4-CHLORO-PHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE;TIMTEC-BB SBB009160;3-(4-chlorophenyl)-1H-pyrazole-4-carbaldehyde(SALTDATA: FREE);3-(4-chlorophenyl)-2H-pyrazole-4-carbaldehyde
    3. CAS NO:350997-67-0
    4. Molecular Formula: C10H7ClN2O
    5. Molecular Weight: 206.63
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 350997-67-0.mol
  • Chemical Properties

    1. Melting Point: 142-144 °C(Solv: water (7732-18-5))
    2. Boiling Point: 445.021 °C at 760 mmHg
    3. Flash Point: 222.941 °C
    4. Appearance: /
    5. Density: 1.379 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 10.45±0.50(Predicted)
    10. CAS DataBase Reference: 3-(4-CHLORO-PHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-(4-CHLORO-PHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE(350997-67-0)
    12. EPA Substance Registry System: 3-(4-CHLORO-PHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE(350997-67-0)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 350997-67-0(Hazardous Substances Data)

350997-67-0 Usage

Uses

Used in Pharmaceutical Synthesis:
3-(4-Chloro-phenyl)-1H-pyrazole-4-carbaldehyde is used as a key intermediate in the synthesis of various pharmaceuticals for its potential biological activities. It plays a crucial role in the development of new drugs targeting a range of diseases.
Used in Agrochemical Production:
In the agrochemical industry, 3-(4-Chloro-phenyl)-1H-pyrazole-4-carbaldehyde is utilized as an intermediate in the production of various agrochemicals. Its presence in these compounds contributes to their effectiveness in agricultural applications.
Used in Cancer Treatment Research:
3-(4-Chloro-phenyl)-1H-pyrazole-4-carbaldehyde is studied for its potential applications in the treatment of cancer. Its biological properties make it a promising candidate for developing therapeutic agents against various types of cancer.
Used in Inflammation Management:
This chemical compound is also being investigated for its potential to manage inflammation. Its incorporation into pharmaceuticals could offer new avenues for treating inflammatory conditions.
Used as a Building Block in Organic Chemistry:
3-(4-Chloro-phenyl)-1H-pyrazole-4-carbaldehyde serves as a versatile building block in organic chemistry, enabling the synthesis of a variety of organic compounds for different applications. Its structural features make it a valuable component in the creation of complex organic molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 350997-67-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,5,0,9,9 and 7 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 350997-67:
(8*3)+(7*5)+(6*0)+(5*9)+(4*9)+(3*7)+(2*6)+(1*7)=180
180 % 10 = 0
So 350997-67-0 is a valid CAS Registry Number.

350997-67-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-(4-chlorophenyl)-1H-pyrazole-4-carbaldehyde

1.2 Other means of identification

Product number -
Other names -

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:350997-67-0 SDS

350997-67-0Relevant articles and documents

Synthesis of lathyrane diterpenoid nitrogen-containing heterocyclic derivatives and evaluation of their anti-inflammatory activities

Wang, Wang,Xiong, Liangliang,Li, Yutong,Song, Zhuorui,Sun, Dejuan,Li, Hua,Chen, Lixia

, (2022/01/24)

As our ongoing work on lathyrane diterpenoid derivatization, three series of lathyrane diterpenoid derivatives were designed and synthesized based combination principles, including pyrazole, thiazole and furoxan moieties. Biological evaluation indicated t

Synthesis and evaluation of antimicrobial and anticancer activities of 3-phenyl-1-phenylsulfonyl pyrazoles containing an aminoguanidine moiety

Huang, Yushan,Hu, Hongmei,Yan, Rui,Lin, Liwen,Song, Mingxia,Yao, Xiaodong

, (2020/10/15)

A series of 3-phenyl-1-phenylsulfonyl pyrazoles containing an aminoguanidine moiety was designed, synthesized, and evaluated for their antimicrobial and anticancer activities. The majority of the target compounds showed broad-spectrum antimicrobial activi

Synthesis and biological evaluation of some pyrazole derivatives, containing (Thio) semicarbazide, as dual anti-inflammatory antimicrobial agents

Liang, Zhaochang,Huang, Yuping,Wang, Shiben,Deng, Xianqing

, p. 1020 - 1030 (2019/10/28)

Background: Several series of pyrazole derivatives containing (thio) semicarbazide (4a-4h, 5a-5l, 6a-6f, 7a-7c) were designed and synthesized to screen dual inflammatory and antimicrobial activities. Methods: The products were characterized by1

Design, synthesis and biological activities of 2,3-dihydroquinazolin-4(1H)-one derivatives as TRPM2 inhibitors

Zhang, Han,Liu, Huan,Luo, Xiao,Wang, Yuxi,Liu, Yuan,Jin, Hongwei,Liu, Zhenming,Yang, Wei,Yu, Peilin,Zhang, Liangren,Zhang, Lihe

, p. 235 - 252 (2018/05/09)

Transient receptor potential melastatin 2 (TRPM2), a Ca2+-permeable cationic channel, plays critical roles in insulin release, cytokine production, body temperature regulation and cell death as a reactive oxygen species (ROS) and temperature sensor. However, few TRPM2 inhibitors have been reported, especially TRP-subtype selective inhibitors, which hampers the investigation and validation of TRPM2 as a drug target. To discover novel TRPM2 inhibitors, 3D similarity-based virtual screening method was employed, by which 2,3-dihydroquinazolin-4(1H)-one derivative H1 was identified as a TRPM2 inhibitor. A series of novel 2,3-dihydroquinazolin-4(1H)-one derivatives were subsequently synthesized and characterized. Their inhibitory activities against the TRPM2 channel were evaluated by calcium imaging and electrophysiology approaches. Some of the compounds exhibited significant inhibitory activity, especially D9 which showed an IC50 of 3.7 μM against TRPM2 and did not affect the TRPM8 channel. The summarized structure-activity relationship (SAR) provides valuable insights for further development of specific TRPM2 targeted inhibitors.

Synthesis and the interaction of 2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-f][1,10]phenanthrolines with telomeric DNA as lung cancer inhibitors

Liu, Jiachun,Chen, Mei,Wang, Yanli,Zhao, Xiaoyin,Wang, Sijia,Wu, Yanling,Zhang, Wen

, p. 36 - 49 (2017/04/06)

A novel series of 2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-f][1,10]phenanthrolines were designed, synthesized and evaluated for their antitumor activity against lung adenocarcinoma by CCK-8 assay, electrophoretic mobility shift assay (EMSA), UV-melting study, wound healing assay and docking study. These compounds showed good inhibitory activities against lung adenocarcinoma. Especially compound 12c exhibited potential antiproliferative activity against A549?cell line with the half maximal inhibitory concentration (IC50) value of 1.48?μM, which was a more potent inhibitor than cisplatin (IC50?=?12.08?μM) and leading compound 2 (IC50?=?1.69?μM), and the maximum cell inhibitory rate being up to 98.40%. Moreover, further experiments demonstrated that compounds 12a–d can strongly interact with telomeric DNA to stabilize G-quadruplex DNA with increased ΔTm values from 12.44 to 20.54?°C at a ratio of DNA to compound 1:10. These results implied that growth inhibition of A549?cells mediated by these phenanthroline derivatives is possibly positively correlated to the fact their interaction with telomeric G-quadruplexs.

Synthesis and antimicrobial evaluation of (Z)-5-((3-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one derivatives

Wei, Zhi-Yu,Liu, Jia-Chun,Zhang, Wen,Li, Ya-Ru,Li, Chao,Zheng, Chang-Ji,Piao, Hu-Ri

, p. 751 - 759 (2016/11/29)

Background: An alarming increment in pathogenic resistance to existing anti-microbial agents is a serious problem and the treatment of these bacterial infections is becoming increasingly challenging. Therefore, there is an urgent need to develop novel ant

Synthesis and antitubercular and antibacterial activity of some active fluorine containing quinoline–pyrazole hybrid derivatives

Nayak, Nagabhushana,Ramprasad, Jurupula,Dalimba, Udayakumar

, p. 59 - 68 (2017/11/28)

In an attempt to develop newer antitubercular and antibacterial agents against the increasing bacterial resistance, we have designed new quinoline–pyrazole analogs (8a–u) following the molecular hybridization approach. The structure of one of the final compounds, 8a was unambiguously confirmed by single crystal X-ray diffraction (SC-XRD) analysis. The target compounds were evaluated for their antitubercular activity against Mycobacterium tuberculosis and antibacterial activity against three common pathogenic bacterial strains. Four derivatives (8b, 8c, 8j and 8o) displayed significant antitubercular activity. The compounds derived from 8-trifluoromethylquinoline and 6-fluoroquinoline scaffolds with halogen substitution on the pyrazole ring exhibited superior inhibition activity than corresponding 6-methoxyquinoline analogs. The cytotoxic studies revealed that the active compounds are nontoxic to normal Vero cell lines with selectivity index values ≥10, which indicate the suitability of these compounds for further drug development. The in silico molecular docking study demonstrated strong binding affinity of the compounds with the target enzymes (InhA, CYP121 and TMPK) of M. tuberculosis. Further, the in vitro antibacterial activity of compounds 8b, 8c, 8d and 8g is comparable with that of the reference drug, Ciprofloxacin.

New INH-pyrazole analogs: Design, synthesis and evaluation of antitubercular and antibacterial activity

Nayak, Nagabhushana,Ramprasad, Jurupula,Dalimba, Udayakumar

, p. 5540 - 5545 (2015/11/17)

With the aim of developing promising antitubercular and antibacterial leads, we have designed and synthesized a new series of isonicotinohydrazide based pyrazole derivatives (5a-r). All new derivatives (4a-b and 5a-r) were screened for in vitro antimycoba

Hantzsch reaction: Synthesis and characterization of some new 1,4-dihydropyridine derivatives as potent antimicrobial and antioxidant agents

Vijesh,Isloor, Arun M.,Peethambar,Shivananda,Arulmoli,Isloor, Nishitha A.

, p. 5591 - 5597 (2011/12/22)

In the present study two new series of Hantzsch 1,4-dihydropyridine derivatives (1,4-DHPs) containing substituted pyrazole moiety (4a-f and 5a-f) were synthesized by the reaction of 3-aryl-1H-pyrazole-4-carbaldehydes with 1,3-dicarbonylcompounds (ethylace

Structure-activity relationship study of a novel necroptosis inhibitor, necrostatin-7

Zheng, Weihong,Degterev, Alexei,Hsu, Emily,Yuan, Junying,Yuan, Chengye

scheme or table, p. 4932 - 4935 (2009/05/26)

Necroptosis is a regulated caspase-independent cell death mechanism characterized by morphological features resembling non-regulated necrosis. Necrotatin-7 (Nec-7), a novel potent small-molecule inhibitor of necroptosis, is structurally distinct from previously described necrostatins (Nec-1, Nec-3, Nec-4 and Nec-5). Here, we describe a series of structural modifications and the structure-activity relationship (SAR) of the Nec-7 series for inhibiting necroptosis.

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