2-Chloropyridine - ≥98% , CAS No.109-09-1

CAS: 109-09-1 Cat. No.: C104870 Formula: C₅H₄ClN Molecular Weight: 113.54 Beilstein Registry Number: 105788 EC Number: 203-646-3

GRADE & PURITY ≥98%

Synonyms

8HMD45AYEJ | AI3-19231 | 2-Chloro pyridine | PS-6209 | SCHEMBL10993088 | MLS001065616 | FT-0612018 | .alpha.-Chloropyridine | F0001-0194 | NSC 4649 | Tox21_303307 | 2-Chloropyridine; NSC 4649; o-Chloropyridine; alpha-Chloropyridine | EINECS 270-187-3 | EN

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

application：

2- Chloropyridine is used as an intermediate chemical in the production of various pyrithione, for use in cosmetics, personal care products and pharmaceutical products.

Specifications

Synonyms

8HMD45AYEJ | AI3-19231 | 2-Chloro pyridine | PS-6209 | SCHEMBL10993088 | MLS001065616 | FT-0612018 | .alpha.-Chloropyridine | F0001-0194 | NSC 4649 | Tox21_303307 | 2-Chloropyridine; NSC 4649; o-Chloropyridine; alpha-Chloropyridine | EINECS 270-187-3 | EN

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

Pubchem Sid

488180636

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180636

Canonical Smiles

C1=CC=NC(=C1)Cl

IUPAC Name

2-chloropyridine

InChIKey

OKDGRDCXVWSXDC-UHFFFAOYSA-N

INCHI

1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H

Isomeric SMILES

C1=CC=NC(=C1)Cl

WGK Germany

3

RTECS

US5950000

UN Number

2822

Packing Group

II

Molecular Weight

113.54

Beilstein

105788

Reaxy-Rn

105788

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105788&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• External Descriptors: monochloropyridine

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

Associated Targets(Human)

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in aromatic hydrocarbons and halogenated hydrocarbons. Soluble in water (27g / L)
• Refractive Index: 1.532
• Flash Point(°F): 154.4 °F
• Flash Point(°C): 65℃
• Boil Point(°C): 170°C
• Melt Point(°C): -46°C
• Molecular Weight: 113.540 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.003 Da
• Monoisotopic Mass: 113.003 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 56.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% 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 is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 109-09-1, the molecular formula is C5H4ClN, and the molecular weight is 113.54 g/mol. InChIKey OKDGRDCXVWSXDC-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.