2,2,2-Trichloroethanol - 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 Formule: C₂H₃Cl₃O Poids moléculaire: 149.4 Beilstein Registry Number: 1697495 Numéro CE: 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

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

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-

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Grade

Moligand™

Type d'action

ALLOSTERIC MODULATOR

Mécanisme d'action

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

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488180740
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180740
• Sourires canoniques: 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
• Isomères SMILES: C(C(Cl)(Cl)Cl)O
• WGK Allemagne: 1
• RTECS: KM3850000
• PubChem CID: 8259
• Numéro ONU: 1760
• Groupe d'emballage: III
• Poids moléculaire: 149.4
• Beilstein: 1697495
• Reaxy-Rn: 1697495

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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
• Description: 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

Cibles associées (humaines)

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)

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water.
• Sensibilité: Hygroscopic
• Indice de réfraction: 1.4885-1.4905
• Point d'éclair (°F): 230.0 °F
• Point d'éclair (°C): 88℃
• Point d'ébullition (°C): 151°C
• Point de fusion (°C): 17.8°C
• Poids moléculaire: 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