1,1,1,2-Tetrachloroethane - ≥99% , CAS No.630-20-6

CAS: 630-20-6 Cat. No.: T433160 Molecular Weight: 167.85 Beilstein Registry Number: 1733216 EC Number: 211-135-1

GRADE & PURITY ≥99%

Synonyms

HCC 130A | MFCD00000807 | 1,1,1,2-TETRACHLOROETHANE [IARC] | 1,1,1,2-Tetrachloroethane 100 microg/mL in Methanol | DTXCID801317 | alpha,beta,beta,beta-Tetrachloroethyl | 1,1,1,2-Tetrachlorethane | 25 - VOCs in Soil | UNII-0S5MKE574X | 0S5MKE574X | 1,1,1,2

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

HCC 130A | MFCD00000807 | 1, 1, 1, 2-TETRACHLOROETHANE [IARC] | 1, 1, 1, 2-Tetrachloroethane 100 microg/mL in Methanol | DTXCID801317 | alpha, beta, beta, beta-Tetrachloroethyl | 1, 1, 1, 2-Tetrachlorethane | 25 - VOCs in Soil | UNII-0S5MKE574X | 0S5MKE574X | 1, 1, 1, 2

Specifications & Purity

≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C(C(Cl)(Cl)Cl)Cl
• IUPAC Name: 1,1,1,2-tetrachloroethane
• InChIKey: QVLAWKAXOMEXPM-UHFFFAOYSA-N
• INCHI: 1S/C2H2Cl4/c3-1-2(4,5)6/h1H2
• Isomeric SMILES: C(C(Cl)(Cl)Cl)Cl
• WGK Germany: 2
• RTECS: KI8450000
• UN Number: 1702
• Packing Group: II
• Molecular Weight: 167.85
• Beilstein: 1733216

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• 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

Associated Targets(non-human)

Aspergillus nidulans (364 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in benzene, acetone, alcohol, chloroform, ether
• Refractive Index: n20/D： 1.481 (lit.)
• Boil Point(°C): 138 °C (lit.)
• Melt Point(°C): -70.2 °C
• Molecular Weight: 167.800 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 167.888 Da
• Monoisotopic Mass: 165.891 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 35.300
• 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