4-(Chloromethyl)thiazole Hydrochloride - ≥98%(HPLC) , CAS No.7709-58-2

CAS: 7709-58-2 Cat. No.: C137365 Molecular Weight: 170.05 EC Number: 672-064-3

GRADE & PURITY ≥98%(HPLC)

Synonyms

EN300-14185 | 4-(chloromethyl)thiazolehydrochloride | FT-0602283 | 4-chloromethylthiazole monohydrochloride | AMY13412 | A838958 | AS-45958 | NVTBASMQHFMANH-UHFFFAOYSA-N | C1623 | AC-37186 | 4-chloromethylthiazole hcl | J-513706 | SY097373 | 4-(Chlorometh

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

EN300-14185 | 4-(chloromethyl)thiazolehydrochloride | FT-0602283 | 4-chloromethylthiazole monohydrochloride | AMY13412 | A838958 | AS-45958 | NVTBASMQHFMANH-UHFFFAOYSA-N | C1623 | AC-37186 | 4-chloromethylthiazole hcl | J-513706 | SY097373 | 4-(Chlorometh

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488193355
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193355
• Canonical Smiles: C1=C(N=CS1)CCl.Cl
• IUPAC Name: 4-(chloromethyl)-1,3-thiazole;hydrochloride
• InChIKey: NVTBASMQHFMANH-UHFFFAOYSA-N
• INCHI: 1S/C4H4ClNS.ClH/c5-1-4-2-7-3-6-4;/h2-3H,1H2;1H
• Isomeric SMILES: C1=C(N=CS1)CCl.Cl
• Alternate CAS: 3364-76-9
• Molecular Weight: 170.05
• Reaxy-Rn: 3690531

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three 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

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Molecular Weight: 170.060 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.952 Da
• Monoisotopic Mass: 168.952 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 59.700
• 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: 2

XLogP3

References

1. Xiaoyun Zhang, Yuxin Su, Yinhang Zhang, Shuo Guan, Xiaoyang Wang, Yanping He.  (2023)  A quinoline-based quaternary ammonium salt dimer as corrosion inhibitor for N80 steel in lactic acid solution.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2023.135914]

2. Yunhui Li, Yixiong Chen, Jialin Qing, Zuoying Cao, Shengxi Wu, Qinggang Li, Mingyu Wang, Wenjuan Guan, Guiqing Zhang.  (2024)  Efficient extraction of nickel from chloride system using a cleaner extractant: Taking the example of processing nickel-aluminum slag remaining from spent hydroprocessing catalysts.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:38889464] [10.1016/j.jhazmat.2024.134880]