Isothiazolinones - mixture of CMI and MI,2.0-2.5% in water,PH：2.0-5.0 , CAS No.26172-55-4

CAS: 26172-55-4 Cat. No.: C183242 分子式: C₄H₄ClNOS 分子量: 149.6 EC番号: 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

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

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) |

仕様と純度

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

生化学的・生理学的メカニズム

PCAF histone acetyltransferase inhibitor (IC 50 = 2-3 μM). Antimicrobial. Active in vitro.

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

名前と識別子

• パブケム・シド: 504753504
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504753504
• カノニカル・スマイル: 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
• 異性体SMILES: CN1C(=O)C=C(S1)Cl
• 代替CAS番号: 2682-20-4
• 分子量: 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
    • 分類 Aryl halides
      • Subclass Aryl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 融点（°C）: 45 - 46°C
• 分子量: 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

参考文献

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]

2. Xiaoyan Qi, Huilin Jiang, Danni Gao, Xiawen Qiu, Qiaoqi Guo, Hai Xiang, Huajun Feng, Wei Sun, Xiaoling Chen, Haifeng Zeng, Qiujia Song.  (2026)  How a chlorine atom amplifies isothiazolinone skin toxicity: integrated analysis of methylchloroisothiazolinone and methylisothiazolinone in inducing atopic dermatitis-like responses.  Journal of Environmental Sciences,      [PMID:] [10.1016/j.jes.2026.105682]

よくある質問

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 26172-55-4, the molecular formula is C4H4ClNOS, and the molecular weight is 149.6 g/mol. InChIKey DHNRXBZYEKSXIM-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.