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

CAS: 10061-02-6 Cat. No.: D115814 Peso molecular: 110.97 Beilstein Registry Number: 1(4)743 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504753252
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753252
• Sonrisas canónicas: 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+
• Isómeros SMILES: C(/C=C/Cl)Cl
• WGK Alemania: 3
• RTECS: UC8320000
• Número ONU: 2047
• Grupo de embalaje: II
• Peso molecular: 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
    • Clase Vinyl halides
      • Subclass Vinyl chlorides

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

Objetivos asociados (humanos)

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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Objetivos asociados (no humanos)

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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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in water: Practically insoluble; Soluble in Chloroform,Ether,Benzene
• Sensibilidad: Air & heat Sensitive
• Índice de refracción: 1.47
• Punto de inflamación (°F): 11 °C
• Punto de inflamación (°C): 11°C
• Punto de ebullición (°C): 112°C
• Peso molecular: 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

Referencias

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]