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

CAS: 78-99-9 Cat. No.: D469688 分子式: C₂H₅CHCl₂ 分子量: 112.99 EC番号: 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

概要

Description

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

Specifications

同義語

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

仕様と純度

≥97%

保管条件

Room temperature

純度

≥97%

名前と識別子

パブケム・シド

504751127

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751127

カノニカル・スマイル

CCC(Cl)Cl

IUPAC Name

1,1-dichloropropane

InChIKey

WIHMGGWNMISDNJ-UHFFFAOYSA-N

INCHI

1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3

異性体SMILES

CCC(Cl)Cl

WGKドイツ

3

RTECS

TX9450000

UN番号

1993

包装グループ

I

分子量

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
    • 分類 Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

Musca domestica (713 Activities)

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: organic solvents: soluble(lit.); water: very slightly soluble(lit.)
• 屈折率: n20/D 1.428 (lit.)
• 引火点（°F）: 44.6 °F
• 引火点（°C）: 7 °C
• 沸点（°C）: 88 °C
• 分子量: 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

よくある質問

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.