2,2,2-Tricloroetanol - Moligand™, ≥98% , Allosteric modulator of 5-HT 3A;Allosteric modulator of 5-HT 3AB, CAS No.115-20-8, Allosteric modulator of 5-HT 3A;Allosteric modulator of 5-HT 3AB

CAS: 115-20-8 Cat. No.: T109518 Peso molecular: 149.4 Beilstein Registry Number: 1697495 Número EC: 204-071-0 PubChem CID: 8259

GRADE & PURITY Moligand™, ≥98%

Synonyms

2,2,2-trichloroethanoI | D70779 | 2,2,2-Trichloroethanol purum | SCHEMBL1027 | .beta.,.beta.,.beta-Trichloroethanol | 2,2,2-Trichloroethanol, purum, >=98.0% (GC) | 2,2-Trichloroethyl alcohol | Trichloroethanol | CHEBI:28094 | FT-0609028 | 2,2-Trichloro-1-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2, 2, 2-trichloroethanoI | D70779 | 2, 2, 2-Trichloroethanol purum | SCHEMBL1027 | .beta., .beta., .beta-Trichloroethanol | 2, 2, 2-Trichloroethanol, purum, >=98.0% (GC) | 2, 2-Trichloroethyl alcohol | Trichloroethanol | CHEBI:28094 | FT-0609028 | 2, 2-Trichloro-1-

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Grado

Moligand™

Tipo de acción

ALLOSTERIC MODULATOR

Mecanismo de acción

Allosteric modulator of 5-HT 3A;Allosteric modulator of 5-HT 3AB

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180740
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180740
• Sonrisas canónicas: C(C(Cl)(Cl)Cl)O
• IUPAC Name: 2,2,2-trichloroethanol
• InChIKey: KPWDGTGXUYRARH-UHFFFAOYSA-N
• INCHI: 1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
• Isómeros SMILES: C(C(Cl)(Cl)Cl)O
• WGK Alemania: 1
• RTECS: KM3850000
• PubChem CID: 8259
• Número ONU: 1760
• Grupo de embalaje: III
• Peso molecular: 149.4
• Beilstein: 1697495
• Reaxy-Rn: 1697495

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Halohydrins
      • Subclass Chlorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Halohydrins
• Subclass: Chlorohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorohydrins
• Alternative Parents: Primary alcohols Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chlorohydrin - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organochloride - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chlorohydrins. These are alcohols substituted by a chlorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• External Descriptors: a small molecule

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

Objetivos asociados (humanos)

HTR3B Tchem 5-hydroxytryptamine receptor 3B (0 Activities)

Discover Target: HTR3B

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HTR3A Tclin 5-hydroxytryptamine receptor 3A (0 Activities)

Discover Target: HTR3A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Sensibilidad: Hygroscopic
• Índice de refracción: 1.4885-1.4905
• Punto de inflamación (°F): 230.0 °F
• Punto de inflamación (°C): 88℃
• Punto de ebullición (°C): 151°C
• Punto de fusión (°C): 17.8°C
• Peso molecular: 149.400 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 147.925 Da
• Monoisotopic Mass: 147.925 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 38.500
• 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. Xia Yan, Xuli Gao, Qiaohua Niu, Xin Peng, Jie Zhang, Xiufeng Ma, Yanhong Wei, Huiping Wang, Yunfang Gao, Hui Chang.  (2021)  Differential protein metabolism and regeneration in hypertrophic diaphragm and atrophic gastrocnemius muscles in hibernating Daurian ground squirrels.  EXPERIMENTAL PHYSIOLOGY,  106  (4): (958-971).  [PMID:33517584] [10.1113/EP089187]

2. Wei-Wei Wang, Long Jiang, Wu-Yang Ren, Chun-Mei Zhang, Chang-Zhen Man, Thien-Phap Nguyen, Yi Dan.  (2016)  The crystallinity, thermal properties and microscopic morphology of di-block copolymers of L-lactide and several acrylates.  RSC Advances,  6  (38): (31934-31946).  [PMID:] [10.1039/C5RA24327K]

3. Yang Zheng, Guanghong Du, Yi Sun, Jiachen Wang, Wei Liu, Guanghui Cui, Zhanpeng Wu.  (2025)  Effects of Fiberized Carbons on Ablative Performances of Poly[(2,2,2-Trichloroethoxy)/(Aryloxy)] Phosphazene Flexible Heat Shielding Materials.  POLYMER COMPOSITES,      [PMID:] [10.1002/pc.30140]