1,1-Dichloroethane standard solution - analytical standard, 1.00mg/ml in methanol , CAS No.75-34-3

CAS: 75-34-3 Cat. No.: D119825 Peso molecular: 98.96 Beilstein Registry Number: 1696901 Número EC: 200-863-5

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

Sinónimos

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

Especificaciones y pureza

analytical standard, 1.00mg/ml in methanol

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

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Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: CC(Cl)Cl
• IUPAC Name: 1,1-dichloroethane
• InChIKey: SCYULBFZEHDVBN-UHFFFAOYSA-N
• INCHI: 1S/C2H4Cl2/c1-2(3)4/h2H,1H3
• Isómeros SMILES: CC(Cl)Cl
• WGK Alemania: 1
• Número ONU: 2362
• Grupo de embalaje: II
• Peso molecular: 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
    • Clase Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Objetivos asociados (no humanos)

Aspergillus nidulans (364 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Punto de inflamación (°C): -10°C
• Punto de ebullición (°C): 57.3°C
• Punto de fusión (°C): -96.7°C
• Peso molecular: 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

Referencias

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]