4-Ethylbenzyl Chloride - ≥98%(GC) , CAS No.1467-05-6

CAS: 1467-05-6 Cat. No.: E299918 분자식: C₉H₁₁Cl 분자량: 154.64 EC 번호: 674-214-3

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00039357 | p-Ethylbenzylchloride | FT-0655219 | SCHEMBL52437 | E0738 | 1-(Chloromethyl)-4-ethylbenzene | 1-(chloromethyl)-4-ethyl-benzene | 4-(chloromethyl)-1-ethylbenzene | 1-chloromethyl-4-ethylbenzene | 1-Chloromethyl-4-ethyl-benzene | A22398 | FS-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

동의어

MFCD00039357 | p-Ethylbenzylchloride | FT-0655219 | SCHEMBL52437 | E0738 | 1-(Chloromethyl)-4-ethylbenzene | 1-(chloromethyl)-4-ethyl-benzene | 4-(chloromethyl)-1-ethylbenzene | 1-chloromethyl-4-ethylbenzene | 1-Chloromethyl-4-ethyl-benzene | A22398 | FS-

사양 및 순도

≥98%(GC)

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

정식 스마일

CCC1=CC=C(C=C1)CCl

IUPAC Name

1-(chloromethyl)-4-ethylbenzene

InChIKey

DUBCVXSYZVTCOC-UHFFFAOYSA-N

INCHI

1S/C9H11Cl/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2,7H2,1H3

이성체 SMILES

CCC1=CC=C(C=C1)CCl

분자량

154.64

Reaxy-Rn

386021

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386021&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl chlorides
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzyl chlorides. These are organic compounds containing a benzene skeleton substituted with a chloromethyl group.
• 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

화학 및 물리적 특성

• 용해성: Insoluble in water.
• 감도: air sensitive
• 굴절률: 1.53
• 발화점(°C): 84 °C
• 끓는점(°C): 111°/26mmHg
• 분자량: 154.630 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 154.055 Da
• Monoisotopic Mass: 154.055 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 82.700
• 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