1-CHLORO-3-ETHOXY-2-PROPANOL , CAS No.4151-98-8

CAS: 4151-98-8 Cat. No.: C170246 Summenformel: C₅H₁₁ClO₂ Molekulargewicht: 138.595 EG-Nummer: 654-320-6

Synonyms

AKOS016340888 | 3-Ethoxy-1-chloro-2-propanol | 1-Ethoxy-2-hydroxy-3-chloropropane | BB 0218014 | AKOS000348992 | 1-chloro-3-ethoxypropan-2-ol | 1-Chloro-3-ethoxy-2-propanol | SB84248 | SCHEMBL8735469 | 2-Propanol, 1-chloro-3-ethoxy- | XHIINWKFCZSGNY-UHFFF

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS016340888 | 3-Ethoxy-1-chloro-2-propanol | 1-Ethoxy-2-hydroxy-3-chloropropane | BB 0218014 | AKOS000348992 | 1-chloro-3-ethoxypropan-2-ol | 1-Chloro-3-ethoxy-2-propanol | SB84248 | SCHEMBL8735469 | 2-Propanol, 1-chloro-3-ethoxy- | XHIINWKFCZSGNY-UHFFF

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

• Kanonisches Lächeln: CCOCC(CCl)O
• IUPAC Name: 1-chloro-3-ethoxypropan-2-ol
• InChIKey: XHIINWKFCZSGNY-UHFFFAOYSA-N
• INCHI: 1S/C5H11ClO2/c1-2-8-4-5(7)3-6/h5,7H,2-4H2,1H3
• Isomere SMILES: CCOCC(CCl)O
• Molekulargewicht: 138.595
• Reaxy-Rn: 1734309
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734309&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Halohydrins
      • Subclass Chlorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Halohydrins
• Subclass: Chlorohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorohydrins
• Alternative Parents: Secondary alcohols Dialkyl ethers Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Chlorohydrin - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as chlorohydrins. These are alcohols substituted by a chlorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 138.590 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 138.045 Da
• Monoisotopic Mass: 138.045 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 49.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 4151-98-8, the molecular formula is C5H11ClO2, and the molecular weight is 138.595 g/mol. InChIKey XHIINWKFCZSGNY-UHFFFAOYSA-N.

What documentation is provided?

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