trans-1,3-Dichloropropene - ≥97% , CAS No.10061-02-6

CAS: 10061-02-6 Cat. No.: D115814 Molecular Weight: 110.97 Beilstein Registry Number: 1(4)743 EC Number: 431-460-4

GRADE & PURITY ≥97%

Synonyms

alpha,gamma-Dichloropropylene | Propene, 1,3-dichloro-, (E)- | Vorlex 201 | CAS-542-75-6 | Dedisol C | gamma-chloroallylchloride | 1,3-Dichloropropene, trans- | HSDB 1109 | 1-Propene, 1,3-dichloro- | 3-Chloropropenyl chloride | DTXCID501307 | Propene, 1,3

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

alpha, gamma-Dichloropropylene | Propene, 1, 3-dichloro-, (E)- | Vorlex 201 | CAS-542-75-6 | Dedisol C | gamma-chloroallylchloride | 1, 3-Dichloropropene, trans- | HSDB 1109 | 1-Propene, 1, 3-dichloro- | 3-Chloropropenyl chloride | DTXCID501307 | Propene, 1, 3

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504753252
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753252
• Canonical Smiles: C(C=CCl)Cl
• IUPAC Name: (E)-1,3-dichloroprop-1-ene
• InChIKey: UOORRWUZONOOLO-OWOJBTEDSA-N
• INCHI: 1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
• Isomeric SMILES: C(/C=C/Cl)Cl
• WGK Germany: 3
• RTECS: UC8320000
• UN Number: 2047
• Packing Group: II
• Molecular Weight: 110.97
• Beilstein: 1(4)743
• Reaxy-Rn: 1719556
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719556&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 Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chloroalkene - Haloalkene - Vinyl chloride - Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - 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: Nematicides

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)

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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Associated Targets(non-human)

Aspergillus nidulans (364 Activities)

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Ralstonia solanacearum (520 Activities)

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Salmonella typhimurium (15756 Activities)

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Meloidogyne incognita (862 Activities)

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Botrytis cinerea (4183 Activities)

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Cucumis sativus (803 Activities)

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Digitaria sanguinalis (1594 Activities)

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Solanum lycopersicum (493 Activities)

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Stellaria media (151 Activities)

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Arenaria serpyllifolia (16 Activities)

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Capsella bursa-pastoris (46 Activities)

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Phytophthora melonis (2 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Practically insoluble; Soluble in Chloroform,Ether,Benzene
• Sensitivity: Air & heat Sensitive
• Refractive Index: 1.47
• Flash Point(°F): 11 °C
• Flash Point(°C): 11°C
• Boil Point(°C): 112°C
• Molecular Weight: 110.970 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 109.969 Da
• Monoisotopic Mass: 109.969 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 31.900
• 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. Qiaochu Zhang, Meiling Qi, Jinliang Wang.  (2017)  Star-shaped oligothiophene-functionalized truxene materials as stationary phases for capillary gas chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:29061474] [10.1016/j.chroma.2017.10.028]

2. Xiaohong Yang, Changxia Li, Meiling Qi, Liangti Qu.  (2016)  Graphene-ZIF8 composite material as stationary phase for high-resolution gas chromatographic separations of aliphatic and aromatic isomers.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27423773] [10.1016/j.chroma.2016.07.029]

3. 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]