1,1-Dichloropropane - ≥97% , CAS No.78-99-9

CAS: 78-99-9 Cat. No.: D469688 Fórmula: C₂H₅CHCl₂ Peso molecular: 112.99 Número CE: 201-165-3

GRADE & PURITY ≥97%

Synonyms

R 270fb | Propylidene chloride | 1,1-Dichloropropane 100 microg/mL in Methanol | alpha,alpha-Propylene dichloride | Propane, 1,1-dichloro- | ethyl methylene chloride | EINECS 201-165-3 | InChI=1/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H | 1,1-Dichloropropane, 97% | S

Storage

Room temperature

Visão geral

Description

1,1-Dichloropropane was used in the synthesis of chloropropenes by undergoing flash vacuum pyrolysis over magnesium.

Specifications

Sinónimos

R 270fb | Propylidene chloride | 1,1-Dichloropropane 100 microg/mL in Methanol | alpha,alpha-Propylene dichloride | Propane, 1,1-dichloro- | ethyl methylene chloride | EINECS 201-165-3 | InChI=1/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H | 1,1-Dichloropropane, 97% | S

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 504751127
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751127
• Sorrisos canónicos: CCC(Cl)Cl
• IUPAC Name: 1,1-dichloropropane
• InChIKey: WIHMGGWNMISDNJ-UHFFFAOYSA-N
• INCHI: 1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3
• SMILES isoméricas: CCC(Cl)Cl
• WGK Alemanha: 3
• RTECS: TX9450000
• Número UN: 1993
• Grupo de embalagem: I
• Peso molecular: 112.99
• Reaxy-Rn: 1731152
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731152&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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
• Descrição: 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: Not available

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

Alvos associados (não humanos)

Musca domestica (713 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: organic solvents: soluble(lit.); water: very slightly soluble(lit.)
• Índice de refração: n20/D 1.428 (lit.)
• Ponto de inflamação (°F): 44.6 °F
• Ponto de inflamação (°C): 7 °C
• Ponto de ebulição (°C): 88 °C
• Peso molecular: 112.980 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 111.985 Da
• Monoisotopic Mass: 111.985 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 18.900
• 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

Referências

1. Jiaben Zhong, Hangyan Zhang, Yina Cai, Xiuping Chen, Zhiyuan Fang, Dun Deng.  (2023)  Rapid and visual detection of dichloroacetonitrile in water.  ANALYST,  148  (21): (5390-5394).  [PMID:37750310] [10.1039/D3AN01282D]

2. Qiufeng Lin, Feilong Dong, Cong Li, Junkui Cui.  (2020)  Disinfection byproduct formation from algal organic matters after ozonation or ozone combined with activated carbon treatment with subsequent chlorination.  Journal of Environmental Sciences,      [PMID:33985726] [10.1016/j.jes.2020.12.009]

Perguntas frequentes

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 78-99-9, the molecular formula is C2H5CHCl2, and the molecular weight is 112.99 g/mol. InChIKey WIHMGGWNMISDNJ-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.