Isotiazolinonas - mezcla de CMI y MI,2,0-2,5% en agua,PH：2,0-5,0 , CAS No.26172-55-4

CAS: 26172-55-4 Cat. No.: C183242 Peso molecular: 149.6 Número EC: 247-500-7

GRADE & PURITY mixture of CMI and MI,2.0-2.5% in water,PH：2.0-5.0

Synonyms

Kathon CG 5243 | SCHEMBL111860 | 5-Chloro-2-methyl-3-isothiazolone (~90%) | 5-Chloro-2-methyl-4-isothiazolin-3-one, tech grade, >14% in water. CMI/MI >2.0 | Tox21_112689 | 5-CHLORO-2-METHYL-4-ISOTHIAZOLIN-3-ONE (ACTIVE INGREDIENT >14%, CMI/MI 2.5 - 4.0) |

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

Kathon CG 5243 | SCHEMBL111860 | 5-Chloro-2-methyl-3-isothiazolone (~90%) | 5-Chloro-2-methyl-4-isothiazolin-3-one, tech grade, >14% in water. CMI/MI >2.0 | Tox21_112689 | 5-CHLORO-2-METHYL-4-ISOTHIAZOLIN-3-ONE (ACTIVE INGREDIENT >14%, CMI/MI 2.5 - 4.0) |

Especificaciones y pureza

mezcla de CMI y MI, 2, 0-2, 5% en agua, PH：2, 0-5, 0

Mecanismos bioquímicos y fisiológicos

Inhibidor de la histona acetiltransferasa PCAF (IC 50 = 2-3 μM). Antimicrobiano. Activo in vitro.

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Nombres e identificadores

• Pubchem Sid: 504753504
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753504
• Sonrisas canónicas: CN1C(=O)C=C(S1)Cl
• IUPAC Name: 5-chloro-2-methyl-1,2-thiazol-3-one
• InChIKey: DHNRXBZYEKSXIM-UHFFFAOYSA-N
• INCHI: 1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
• Isómeros SMILES: CN1C(=O)C=C(S1)Cl
• CAS alternativo: 2682-20-4
• Peso molecular: 149.6
• Reaxy-Rn: 1210149
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1210149&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Aryl halides
      • Subclass Aryl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Aryl halides
• Subclass: Aryl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl chlorides
• Alternative Parents: Vinylogous halides Thiazoles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl chloride - Azole - Thiazole - Vinylogous halide - Heteroaromatic compound - Lactam - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional group.
• External Descriptors: organochlorine compound - 1,2-thiazole

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

Propiedades químicas y físicas

• Punto de fusión (°C): 45 - 46°C
• Peso molecular: 149.600 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.97 Da
• Monoisotopic Mass: 148.97 Da
• Topological Polar Surface Area: 45.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 156.000
• 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

Referencias

1. Shifang Yang, Zexuan Zhang, Qianpeng Hou, Yunpeng Liu, Chi Gong.  (2024)  Preparation, characterisation and enhanced fungistatic properties of silicone rubber with different concentrations of CMIT/MIT.  High Voltage,      [PMID:] [10.1049/hve2.12473]