Picloram - analytical standard, ≥98.5% , CAS No.1918-02-1

CAS: 1918-02-1 Cat. No.: P109931 분자식: C₆H₃Cl₃N₂O₂ 분자량: 241.46 Beilstein Registry Number: 479075 EC 번호: 217-636-1

GRADE & PURITY Analytical standard, ≥98.5%

Synonyms

WOM | 4-Amino-3,6-trichloro-2-picolinic acid | 4-Amino-3,6-trichlorpicolinsaeure | STK179674 | Picloram [ANSI:BSI:ISO] | PICLORAM [MI] | 2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro- | 3,6-Trichloro-4-aminopicolinic acid | Tordon 22K | 4-Amino-3,5,6

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

WOM | 4-Amino-3,6-trichloro-2-picolinic acid | 4-Amino-3,6-trichlorpicolinsaeure | STK179674 | Picloram [ANSI:BSI:ISO] | PICLORAM [MI] | 2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro- | 3,6-Trichloro-4-aminopicolinic acid | Tordon 22K | 4-Amino-3,5,6

사양 및 순도

analytical standard, ≥98.5%

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

순수함

≥98.5%

이름과 식별자

• Pubchem Sid: 528772353
• 정식 스마일: C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N
• IUPAC Name: 4-amino-3,5,6-trichloropyridine-2-carboxylic acid
• InChIKey: NQQVFXUMIDALNH-UHFFFAOYSA-N
• INCHI: 1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)
• 이성체 SMILES: C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N
• WGK 독일: 2
• RTECS: TJ7525000
• 분자량: 241.46
• Beilstein: 479075
• Reaxy-Rn: 479075
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=479075&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Polyhalopyridines 2-halopyridines Aminopyridines and derivatives Aryl chlorides Vinylogous halides Heteroaromatic compounds Amino acids Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Primary amines Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Polyhalopyridine - Aminopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• External Descriptors: Pyridine 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

관련 대상(인간)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 200°C
• 분자량: 241.500 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 239.926 Da
• Monoisotopic Mass: 239.926 Da
• Topological Polar Surface Area: 76.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 216.000
• 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

참고 문헌

1. Zhefei Zhao, Xuyao Yao, Linlin Zhang, Minhao Chen, Xingyu Luo, Ruopeng Yu, Yinghua Xu, Youqun Chu, Xinbiao Mao, Huajun Zheng.  (2024)  AgCu bimetallic electrocatalyst for the selective dechlorination of 4-amino-3,5,6-trichloropyridine carboxylic acid.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2024.144722]

2. Jingyu Zhang, Huihui Hu, Jian Wang, Keqiang Lu, Yunyun Zhou, Lingzhi Zhao, Juanjuan Peng.  (2024)  Gold nanoclusters-based fluorescence sensor array for herbicides qualitative and quantitative analysis.  ANALYTICA CHIMICA ACTA,      [PMID:38462337] [10.1016/j.aca.2024.342380]