Ethyl Isonicotinate - ≥98%(GC) , CAS No.1570-45-2

CAS: 1570-45-2 Cat. No.: E123188 분자식: C₈H₉NO₂ 분자량: 151.16 Beilstein Registry Number: 122942 EC 번호: 216-379-2

GRADE & PURITY ≥98%(GC)

Synonyms

HMS1754D18 | 4-Carbethoxypyridine | BRN 0122942 | ETHYL ISONICOTINATE | .gamma.-Pyridinecarboxylic acid ethyl ester | MFCD00006428 | Ethyl 4-pyridinecarboxylate | AM20050839 | Ethyl isonicotinate, 98% | FT-0625784 | 4-Picolinic acid ethyl ester | D70811 |

Storage

Room temperature,Argon charged

Shipped In

Normal

개요

application：

4-Pyridinecarboxylic Acid Ethyl Ester, is an organic building block, used in the synthesis of various pharmaceutical and biologically active compounds. It is also a pyridine compound that is shown to be able to trap the thrips in the corp.

Specifications

동의어

HMS1754D18 | 4-Carbethoxypyridine | BRN 0122942 | ETHYL ISONICOTINATE | .gamma.-Pyridinecarboxylic acid ethyl ester | MFCD00006428 | Ethyl 4-pyridinecarboxylate | AM20050839 | Ethyl isonicotinate, 98% | FT-0625784 | 4-Picolinic acid ethyl ester | D70811 |

사양 및 순도

≥98%(GC)

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488182093

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182093

정식 스마일

CCOC(=O)C1=CC=NC=C1

IUPAC Name

ethyl pyridine-4-carboxylate

InChIKey

MCRPKBUFXAKDKI-UHFFFAOYSA-N

INCHI

1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3

이성체 SMILES

CCOC(=O)C1=CC=NC=C1

WGK 독일

3

RTECS

NS1450000

분자량

151.16

Beilstein

122942

Reaxy-Rn

122942

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122942&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: Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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: Not available

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(비인간)

Frankliniella occidentalis (90 Activities)

Explore this target

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

Thrips tabaci (33 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Chloroform (Slightly), Methanol (Slightly): Chloroform (trace amount), methanol (trace amount)
• 감도: Air sensitive；Heat sensitive
• 굴절률: 1.501
• 발화점(°F): 87°C
• 발화점(°C): 87°C
• 끓는점(°C): 220°C
• 분자량: 151.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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