3-Chloro-2-(chloromethyl)pyridine - ≥98% , CAS No.185315-53-1

CAS: 185315-53-1 Cat. No.: C191736 Formula: C₆H₅Cl₂N Peso molecolare: 162.02 Numero EC: 876-901-5

GRADE & PURITY ≥98%

Synonyms

3-Chloro-2-(chloromethyl)pyridine|185315-53-1|MFCD10697613|Pyridine, 3-chloro-2-(chloromethyl)- (9CI)|PYRIDINE, 3-CHLORO-2-(CHLOROMETHYL)-|SCHEMBL4347152|DTXSID20561209|MNOCTFZHUCINGC-UHFFFAOYSA-N|XEA85169|AKOS006305084|AB60061|DS-4501|SY121216|EN300-1019

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

3-Chloro-2-(chloromethyl)pyridine | 185315-53-1 | MFCD10697613 | Pyridine, 3-chloro-2-(chloromethyl)- (9CI) | PYRIDINE, 3-CHLORO-2-(CHLOROMETHYL)- | SCHEMBL4347152 | DTXSID20561209 | MNOCTFZHUCINGC-UHFFFAOYSA-N | XEA85169 | AKOS006305084 | AB60061 | DS-4501 | SY121216 | EN300-1019

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C1=CC(=C(N=C1)CCl)Cl

IUPAC Name

3-chloro-2-(chloromethyl)pyridine

InChIKey

MNOCTFZHUCINGC-UHFFFAOYSA-N

INCHI

1S/C6H5Cl2N/c7-4-6-5(8)2-1-3-9-6/h1-3H,4H2

Isomeri SMILES

C1=CC(=C(N=C1)CCl)Cl

Peso molecolare

162.02

Reaxy-Rn

4859467

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4859467&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 162.010 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 160.98 Da
• Monoisotopic Mass: 160.98 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.100
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

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 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 185315-53-1, the molecular formula is C6H5Cl2N, and the molecular weight is 162.02 g/mol. InChIKey MNOCTFZHUCINGC-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.