할로설푸론-메틸 - ≥96% , CAS No.100784-20-1

CAS: 100784-20-1 Cat. No.: H141432 분자식: C₁₃H₁₅ClN₆O₇S 분자량: 434.81 EC 번호: 600-130-3

등급 & 순도 ≥96%

Synonyms

T71523 | MFCD01309162 | FMGZEUWROYGLAY-UHFFFAOYSA-N | 할로설푸론 메틸 ,3-클로로-5-(((((4,6-디메톡시-2-피리미디닐)아미노)카보닐)아미노)설포닐)-1-메틸-1H-피라졸-4-카복실산 메틸 에스테르 | 1H-피라졸-4-카복실산, 3-chloro-5-[[[[(4,6-)

Storage

Room temperature

Shipped In

보통

개요

제품 소개

할로설푸론-메틸은 고활성 사후 설포닐우레아 제초제로 잡초 방제 관리에 응용할 수 있습니다.

적용 분야

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할로설푸론-메틸은 전기분무 이온화 질량 분석법(LC/ES-MS)과 결합된 액체 크로마토그래피를 사용하여 물 샘플에서 할로설푸론 메틸을 측정할 때 표준으로 사용할 수 있습니다.

사양

동의어

T71523 | MFCD01309162 | FMGZEUWROYGLAY-UHFFFAOYSA-N | 할로설푸론 메틸 ,3-클로로-5-(((((4,6-디메톡시-2-피리미디닐)아미노)카보닐)아미노)설포닐)-1-메틸-1H-피라졸-4-카복실산 메틸 에스테르 | 1H-피라졸-4-카복실산, 3-chloro-5-[[[[(4,6-)

사양 및 순도

≥96%

보관 조건

Room temperature

배송

보통

순수함

≥96%

이름과 식별자

Pubchem Sid

488186671

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186671

정식 스마일

CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

IUPAC Name

methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate

InChIKey

FMGZEUWROYGLAY-UHFFFAOYSA-N

INCHI

1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)

이성체 SMILES

CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

WGK 독일

3

RTECS

UQ6392606

분자량

434.81

Reaxy-Rn

7783327

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7783327&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazole carboxylic acids and derivatives
• Alternative Parents: Sulfonylureas Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Aryl chlorides Vinylogous halides Vinylogous amides Organosulfonic acids and derivatives Aminosulfonyl compounds Heteroaromatic compounds Methyl esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidic acids and derivatives Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazole-4-carboxylic acid or derivatives - Alkyl aryl ether - Sulfonylurea - Aryl chloride - Aryl halide - Pyrimidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Aminosulfonyl compound - Methyl ester - Vinylogous halide - Vinylogous amide - Carboxylic acid ester - Azacycle - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboximidic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
• External Descriptors: Sulfonylurea herbicides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water; Degree of Solubility in water: 36 mg/l 25 °C; Soluble in Dimethylformamide,dichloromethane,Acetone
• 녹는점(°C): 175-177oC
• 분자량: 434.810 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 434.041 Da
• Monoisotopic Mass: 434.041 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 665.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 100784-20-1, the molecular formula is C13H15ClN6O7S, and the molecular weight is 434.81 g/mol. InChIKey FMGZEUWROYGLAY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.