1-Phenoxy-2-chloropropane - ≥97% , CAS No.53491-30-8

CAS: 53491-30-8 Cat. No.: P160294 分子式: C₉H₁₁ClO 分子量: 170.64 PubChem CID: 565152

GRADE & PURITY ≥97%

Synonyms

2-chloropropoxybenzene | FT-0728055 | (2-Chloropropoxy)benzene # | 2-Chloropropoxy benzene | LTRAIWUUCBYXHZ-UHFFFAOYSA-N | D91900 | 2-Chloropropyl Phenyl Ether | (2-Chloropropoxy)benzene | 1-Phenoxy-2-chloropropane | AKOS015966599 | DTXSID10340489 | MFCD0

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

2-chloropropoxybenzene | FT-0728055 | (2-Chloropropoxy)benzene # | 2-Chloropropoxy benzene | LTRAIWUUCBYXHZ-UHFFFAOYSA-N | D91900 | 2-Chloropropyl Phenyl Ether | (2-Chloropropoxy)benzene | 1-Phenoxy-2-chloropropane | AKOS015966599 | DTXSID10340489 | MFCD0

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

528754785

カノニカル・スマイル

CC(COC1=CC=CC=C1)Cl

IUPAC Name

2-chloropropoxybenzene

InChIKey

LTRAIWUUCBYXHZ-UHFFFAOYSA-N

INCHI

1S/C9H11ClO/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3

異性体SMILES

CC(COC1=CC=CC=C1)Cl

PubChem CID

565152

分子量

170.64

Reaxy-Rn

3241433

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

化学的性質と物理的性質

• 沸点（°C）: 95°C/5mmHg(lit.)
• 分子量: 170.630 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 170.05 Da
• Monoisotopic Mass: 170.05 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 99.700
• 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