GRADE & PURITY Analytical standard, 1.00mg/ml in methanol

Synonyms

MFCD00013673 | 1,1-Dichloroethane 5000 microg/mL in Methanol | 1,1-Dichloroethane, analytical standard | Cloruro di etilidene | UNII-0S989LNA44 | 1,1-Dichloroethane Ethlidene chloride | Tox21_200205 | 1,1-Dichloraethan | EINECS 200-863-5 | 1,1-Dichloroeth

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

MFCD00013673 | 1, 1-Dichloroethane 5000 microg/mL in Methanol | 1, 1-Dichloroethane, analytical standard | Cloruro di etilidene | UNII-0S989LNA44 | 1, 1-Dichloroethane Ethlidene chloride | Tox21_200205 | 1, 1-Dichloraethan | EINECS 200-863-5 | 1, 1-Dichloroeth

Specifications & Purity

analytical standard, 1.00mg/ml in methanol

Storage

Room temperature

Shipped In

FedEx DG Service

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

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: CC(Cl)Cl
• IUPAC Name: 1,1-dichloroethane
• InChIKey: SCYULBFZEHDVBN-UHFFFAOYSA-N
• INCHI: 1S/C2H4Cl2/c1-2(3)4/h2H,1H3
• Isomeric SMILES: CC(Cl)Cl
• WGK Germany: 1
• UN Number: 2362
• Packing Group: II
• Molecular Weight: 98.96
• Beilstein: 1696901
• Reaxy-Rn: 1696901
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696901&ln=

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: organochlorine compound

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(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

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

• Sensitivity: light sensitive
• Flash Point(°C): -10°C
• Boil Point(°C): 57.3°C
• Melt Point(°C): -96.7°C
• Molecular Weight: 98.960 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 97.969 Da
• Monoisotopic Mass: 97.969 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 11.500
• 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

References

1. Ziyuan Zhou, Lei Li, Xiaoya Liu, Haoyong Lei, Wanjie Wang, Yanyu Yang, Jianfeng Wang, Yanxia Cao.  (2020)  An efficient water-assisted liquid exfoliation of layered MXene (Ti3C2Tx) by rationally matching Hansen solubility parameter and surface tension.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2020.115116]

2. Wang Wenbing, Wu Yanqing.  (2019)  Sequential coupling of bio-augmented permeable reactive barriers for remediation of 1,1,1-trichloroethane contaminated groundwater.  ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH,  26  (12): (12042-12054).  [PMID:30827025] [10.1007/s11356-019-04676-3]

3. Wang Wenbing, Wu Yanqing.  (2018)  Effects of biological clogging on 1,1,1-TCA and its intermediates distribution and fate in heterogeneous saturated bio-augmented permeable reactive barriers.  ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH,  25  (28): (28628-28641).  [PMID:30094670] [10.1007/s11356-018-2908-z]