2,3-Dimethoxybenzyl chloride - ≥98% , CAS No.3893-01-4

CAS: 3893-01-4 Cat. No.: D303622 Formula: C₉H₁₁ClO₂ Peso molecolare: 186.64 Numero EC: 674-292-9

GRADE & PURITY ≥98%

Synonyms

2, 3-dimethoxybenzyl chloride | 1-(chloromethyl)-2,3-dimethoxybenzene | 3-chloromethyl-1,2-dimethoxybenzene | DTXSID90374303 | FT-0635051 | AKOS000262341 | 2,3-dimethoxybenzyl chloride | Benzene, 1-(chloromethyl)-2,3-dimethoxy- | MJRVJLUCLPUZER-UHFFFAOYSA

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

2, 3-dimethoxybenzyl chloride | 1-(chloromethyl)-2,3-dimethoxybenzene | 3-chloromethyl-1,2-dimethoxybenzene | DTXSID90374303 | FT-0635051 | AKOS000262341 | 2,3-dimethoxybenzyl chloride | Benzene, 1-(chloromethyl)-2,3-dimethoxy- | MJRVJLUCLPUZER-UHFFFAOYSA

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528755316

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755316

Sorrisi canonici

COC1=CC=CC(=C1OC)CCl

IUPAC Name

1-(chloromethyl)-2,3-dimethoxybenzene

InChIKey

MJRVJLUCLPUZER-UHFFFAOYSA-N

INCHI

1S/C9H11ClO2/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5H,6H2,1-2H3

Isomeri SMILES

COC1=CC=CC(=C1OC)CCl

Peso molecolare

186.64

Reaxy-Rn

639391

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=639391&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Benzyl chlorides Anisoles Alkyl aryl ethers Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Benzyl halide - Benzyl chloride - Phenol ether - Alkyl aryl ether - Ether - Organic oxygen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

• Punto di infiammabilità (°C): 89.3ºC
• Punto di ebollizione (°C): 248.6ºC
• Peso molecolare: 186.630 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 186.045 Da
• Monoisotopic Mass: 186.045 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• 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