Allyl chloride - 1000μg/ml,in Purge and Trap Methanol , CAS No.107-05-1

CAS: 107-05-1 Cat. No.: A141152 Molecular Weight: 76.52 Beilstein Registry Number: 635704 EC Number: 203-457-6

GRADE & PURITY 1000μg/ml,in Purge and Trap Methanol

Synonyms

ALLYL CHLORIDE|107-05-1|3-Chloro-1-propene|3-chloroprop-1-ene|1-Propene, 3-chloro-|3-Chloropropene|3-Chloropropylene|Chlorallylene|Allylchlorid|2-Propenyl chloride|1-Chloro-2-propene|allylchloride|Chloroallylene|3-Chloropropene-1|3-Chlorpropen|Propene, 3-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads,FedEx DG Service

Specifications

Synonyms

ALLYL CHLORIDE | 107-05-1 | 3-Chloro-1-propene | 3-chloroprop-1-ene | 1-Propene, 3-chloro- | 3-Chloropropene | 3-Chloropropylene | Chlorallylene | Allylchlorid | 2-Propenyl chloride | 1-Chloro-2-propene | allylchloride | Chloroallylene | 3-Chloropropene-1 | 3-Chlorpropen | Propene, 3-

Specifications & Purity

1000μg/ml, in Purge and Trap Methanol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads, FedEx DG Service

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

Names and Identifiers

• 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

• 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

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