Trans-1,2-Dichloroethylene - PrimorTrace™, ≥99.999% metals basis , CAS No.156-60-5

CAS: 156-60-5 Cat. No.: D741898 Molecular Weight: 96.94 Beilstein Registry Number: 1420761 EC Number: 205-860-2

GRADE & PURITY PrimorTrace™, ≥99.999% metals basis

Synonyms

Trans-1,2-Dichloroethene | Tans-Acetylene dichloride

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Trans-1, 2-Dichloroethene | Tans-Acetylene dichloride

Specifications & Purity

PrimorTrace™, ≥99.999% metals basis

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Grade

PrimorTrace™

Purity

≥99.999% metals basis

Names and Identifiers

• Canonical Smiles: C(=CCl)Cl
• IUPAC Name: (E)-1,2-dichloroethene
• InChIKey: KFUSEUYYWQURPO-OWOJBTEDSA-N
• INCHI: 1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+
• Isomeric SMILES: C(=C/Cl)\Cl
• WGK Germany: 1
• UN Number: 1150
• Packing Group: II
• Molecular Weight: 96.94
• Beilstein: 1420761
• Reaxy-Rn: 1719345
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719345&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Vinyl halides
      • Subclass Vinyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Vinyl halides
• Subclass: Vinyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl chlorides
• Alternative Parents: Chloroalkenes Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chloroalkene - Haloalkene - Vinyl chloride - Hydrocarbon derivative - Organochloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom.
• External Descriptors: 1,2-dichloroethene

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)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light & Moisture sensitive
• Refractive Index: 1.45
• Flash Point(°C): 6°C
• Boil Point(°C): 48°C
• Melt Point(°C): -50°C
• Molecular Weight: 96.940 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 95.9534 Da
• Monoisotopic Mass: 95.9534 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 19.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Zheng-Tao Li, Si-Ying Yang, He-Ping Zhao.  (2023)  The effects of arsenic on dechlorination of trichloroethene by consortium DH: Microbial response and resistance.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:37392873] [10.1016/j.scitotenv.2023.165219]

2. Xiaohui Wang, Jia Xin, Mengjiao Yuan, Fang Zhao, Litao Wang.  (2022)  Coupled microscale zero valent iron-autotrophic hydrogen bacteria dechlorination system is not always superior to its standalone counterparts: A sustainable remediation perspective.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:36228794] [10.1016/j.scitotenv.2022.159364]

3. 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]

4. 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]

5. Chunyun Gu, Jiayi An, Shuyu Liu, Feng Xiong, Wei Zhou, Liting Tian, Yuruo Wan, Qian Wu, Jie Ma.  (2025)  Degradation of 15 halogenated hydrocarbons by 5 unactivated in-situ chemical oxidation oxidants.  ENVIRONMENTAL TECHNOLOGY,      [PMID:39813303] [10.1080/09593330.2025.2450557]

6. Su-Hao Chen, Zheng-Tao Li, Chun-Yu Lai, He-Ping Zhao.  (2024)  Enhancing reductive dechlorination of trichloroethylene in bioelectrochemical systems with conductive materials.  ENVIRONMENTAL RESEARCH,      [PMID:39128662] [10.1016/j.envres.2024.119773]

7. Si-Ying Yang, Chun-Yu Lai, He-Ping Zhao.  (2024)  Influence of microbial inoculation site on trichloroethylene degradation in electrokinetic-enhanced bioremediation of low-permeability soils.  ENVIRONMENTAL RESEARCH,      [PMID:38604486] [10.1016/j.envres.2024.118899]

8. Zheng-Tao Li, He-Ping Zhao.  (2024)  Sulfate-driven microbial collaboration for synergistic remediation of chloroethene-heavy metal pollution.  WATER RESEARCH,      [PMID:39504699] [10.1016/j.watres.2024.122738]

9. Si-Ying Yang, Chun-Yu Lai, He-Ping Zhao.  (2024)  Trichloroethylene detoxification in low-permeability soil via electrokinetic-enhanced bioremediation technology: Long-term feasibility and spatial-temporal patterns.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:39637786] [10.1016/j.jhazmat.2024.136743]

10. Zheng-Tao Li, Xin Song, Songhu Yuan, He-Ping Zhao.  (2024)  Unveiling the inhibitory mechanisms of chromium exposure on microbial reductive dechlorination: Kinetics and microbial responses.  WATER RESEARCH,      [PMID:38382292] [10.1016/j.watres.2024.121328]

11. Xin Liu, Qing Wang, Zhuanxia Zhang, Liangchun Jia, Zhenxing Shen, Tengwen Long, George Zheng Chen, Jun He, Xin Song.  (2025)  Immobilizing S-nZVI@LDO for simultaneous removal of PFOA and TCE co-contaminants from groundwater.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:40544775] [10.1016/j.jhazmat.2025.138949]