Cyclopentanoneoxime - ≥98% , CAS No.142-29-0

CAS: 142-29-0 Cat. No.: C104480 Formula: CH₂)₃CHCH Molecular Weight: 68.12 Beilstein Registry Number: 635707 EC Number: 205-532-9

GRADE & PURITY ≥98%

Synonyms

UN2246 | WLN: L5UTJ | InChI=1/C5H8/c1-2-4-5-3-1/h1-2H,3-5H | Cyclopentene [UN2246] [Flammable liquid] | NCGC00356963-01 | Tox21_303765 | F0001-0496 | DTXCID609171 | UNII-ONM2CKV81Z | J-007633 | EN300-21672 | NSC 5160 | C5H8 | FT-0624263 | Cyclopentene, p

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyms

UN2246 | WLN: L5UTJ | InChI=1/C5H8/c1-2-4-5-3-1/h1-2H,3-5H | Cyclopentene [UN2246] [Flammable liquid] | NCGC00356963-01 | Tox21_303765 | F0001-0496 | DTXCID609171 | UNII-ONM2CKV81Z | J-007633 | EN300-21672 | NSC 5160 | C5H8 | FT-0624263 | Cyclopentene, p

Specifications & Purity

≥98%

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.

Purity

≥98%

Names and Identifiers

Pubchem Sid

504751757

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751757

Canonical Smiles

C1CC=CC1

IUPAC Name

cyclopentene

InChIKey

LPIQUOYDBNQMRZ-UHFFFAOYSA-N

INCHI

1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2

Isomeric SMILES

C1CC=CC1

WGK Germany

3

RTECS

GY5950000

UN Number

2246

Packing Group

II

Molecular Weight

68.12

Beilstein

635707

Reaxy-Rn

635707

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635707&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Cyclic olefins
• Direct Parent: Cycloalkenes
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkene - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double bond.
• External Descriptors: cycloalkene

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water; Soluble in Ether,Ethanol
• Sensitivity: Heat sensitive
• x_refractive_index: 1.42
• x_flash_point_drop_fahrenheit: -29.2 °F
• x_flash_point_drop_centigrade: -34 °C
• x_boil_point_char: 46 °C
• x_melt_point_char: -135°C(lit.)
• Molecular Weight: 68.120 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 68.0626 Da
• Monoisotopic Mass: 68.0626 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 38.000
• 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