1,3-Dichloropropene - technical grade, ≥90% , CAS No.542-75-6

CAS: 542-75-6 Cat. No.: D432879 Fórmula: C₃H₄Cl₂ Peso molecular: 110.97 Beilstein Registry Number: 1719556 Número CE: 208-826-5

GRADE & PURITY Technical grade, ≥90%

Synonyms

AKOS025117018 | trans-1,3-Dichlorpropylene | 1,3-dichioropropene | 1,3-Dichloropropene | DTXSID1022057 | 1, 3-Dichloropropene | 1,3-dichloro-prop-1-ene | cis-/trans-1,3-Dichloropropene | Telone II, technical grade (with 1% epichlorohydrin) | Telone II, te

Storage

Room temperature

Shipped In

FedEx DG Service

Visão geral

1,3-Dichloropropene (1,3-D) is a clear, light-straw colored liquid. It is a soil fumigant useful for preplanting control of parasitic nematodes. Co-formulations of 1,3-D and chloropicrin are widely employed for preplant fumigation in the production of high-value crops.

Application

1,3-Dichloropropene may be employed in commercial fumigant preparations. It is used as pesticide in a study to investigate the photocatalytic degradation of water-soluble pesticides (cymoxanil, methomyl, oxamyl, dimethoate, pyrimethanil and telone) at pilot-plant scale.

Specifications

Sinónimos

AKOS025117018 | trans-1,3-Dichlorpropylene | 1,3-dichioropropene | 1,3-Dichloropropene | DTXSID1022057 | 1, 3-Dichloropropene | 1,3-dichloro-prop-1-ene | cis-/trans-1,3-Dichloropropene | Telone II, technical grade (with 1% epichlorohydrin) | Telone II, te

Especificações e pureza

technical grade, ≥90%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Technical grade

Pureza

≥90%

Nomes e identificadores

• Sorrisos canónicos: C(C=CCl)Cl
• IUPAC Name: 1,3-dichloroprop-1-ene
• InChIKey: UOORRWUZONOOLO-UHFFFAOYSA-N
• INCHI: 1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2
• SMILES isoméricas: C(C=CCl)Cl
• WGK Alemanha: 3
• RTECS: UC8310000
• Número UN: 2047
• Grupo de embalagem: II
• Peso molecular: 110.97
• Beilstein: 1719556
• 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
    • Classe Vinyl halides
      • Subclass Vinyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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
• Descrição: 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: a small molecule

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

Propriedades químicas e físicas

• Índice de refração: 1.472
• Ponto de inflamação (°F): 25°C
• Ponto de inflamação (°C): 28°C
• Ponto de ebulição (°C): 97-112°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: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referências

1. Yong Fan, Jing Lu, Zelin Yu, Xiao Qu, Shuang Guan.  (2022)  1,3-Dichloro-2-propanol-Induced Renal Tubular Cell Necroptosis through the ROS/RIPK3/MLKL Pathway.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:36000575] [10.1021/acs.jafc.2c02619]

2. Jianxia Sun, Shun Bai, Weibin Bai, Feiyan Zou, Lei Zhang, Guoqiang Li, Yunfeng Hu, Mingwei Li, Rian Yan, Zhijian Su, Yadong Huang.  (2014)  1,3-Dichloro-2-propanol inhibits progesterone production through the expression of steroidogenic enzymes and cAMP concentration in Leydig cells.  FOOD CHEMISTRY,      [PMID:24518350] [10.1016/j.foodchem.2014.01.017]

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does technical grade mean?

technical grade indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 542-75-6, the molecular formula is C3H4Cl2, and the molecular weight is 110.97 g/mol. InChIKey UOORRWUZONOOLO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.