Allyl chloride - analytical standard, ≥99.5%(GC) , CAS No.107-05-1

CAS: 107-05-1 Cat. No.: A103822 Formula: C₃H₅Cl Molecular Weight: 76.52 Beilstein Registry Number: 635704 EC Number: 203-457-6

GRADE & PURITY Analytical standard, ≥99.5%(GC)

Synonyms

3-Chloropropene-1 | Allylchlorid | 3-chloroprop-1-ene | ALLYL CHLORIDE | allylchloride | 3-Chloropropylene | 3-Chloro-1-propene | 1-Chloro-2-propene | 2-Propenyl chloride | 3-Chlorpropen | 3-Chloropropene | Chloroallylene | Chlorallylene | 3-Chloro-1-Prop

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyms

3-Chloropropene-1 | Allylchlorid | 3-chloroprop-1-ene | ALLYL CHLORIDE | allylchloride | 3-Chloropropylene | 3-Chloro-1-propene | 1-Chloro-2-propene | 2-Propenyl chloride | 3-Chlorpropen | 3-Chloropropene | Chloroallylene | Chlorallylene | 3-Chloro-1-Prop

Specifications & Purity

analytical standard, ≥99.5%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

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

Grade

Analytical standard

Purity

≥99.5%(GC)

Names and Identifiers

Pubchem Sid

508814181

Canonical Smiles

C=CCCl

IUPAC Name

3-chloroprop-1-ene

InChIKey

OSDWBNJEKMUWAV-UHFFFAOYSA-N

INCHI

1S/C3H5Cl/c1-2-3-4/h2H,1,3H2

Isomeric SMILES

C=CCCl

WGK Germany

2

RTECS

UC7350000

UN Number

1100

Packing Group

I

Molecular Weight

76.52

Beilstein

635704

Reaxy-Rn

635704

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635704&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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: organochlorine compound

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)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Not soluble in water, but miscible with most organic solvents such as ethanol, ether, chloroform, and petroleum ether.
• Refractive Index: 1.4154
• Flash Point(°F): -25.6 °F
• Flash Point(°C): -31℃
• Boil Point(°C): 44.96°C
• Melt Point(°C): -134.5°C
• Molecular Weight: 76.520 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 76.008 Da
• Monoisotopic Mass: 76.008 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 17.200
• 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