4-메틸스티렌 - ≥96%, TBC로 안정화됨 , CAS No.622-97-9

CAS: 622-97-9 Cat. No.: M158348 분자식: C₉H₁₀ 분자량: 118.18 Beilstein Registry Number: 5485 EC 번호: 210-762-8

GRADE & PURITY ≥96%, stabilized with TBC

Synonyms

EINECS 215-292-7 | InChI=1/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H | CCRIS 3488 | 4- 비닐톨루엔 | p-메틸스티렌, 안정화 | 폴리(4-메틸스티렌) | UNII-HJ7H0G60Q0 | 1-p-톨레텐 | DTXCID10889 | NCGC00259943-01 | p-메틸 스티렌 | 4- 메틸 스티렌

Storage

2-8°C, 아르곤 충전 상태로 보관

Shipped In

젖은 얼음

개요

일반적으로 양이온성, 2좌표 트리페닐포스핀-금(I)-Π 복합체의 제조에서 Π 리간드로 사용됩니다.

Specifications

동의어

EINECS 215-292-7 | InChI=1/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H | CCRIS 3488 | 4- 비닐톨루엔 | p-메틸스티렌, 안정화 | 폴리(4-메틸스티렌) | UNII-HJ7H0G60Q0 | 1-p-톨레텐 | DTXCID10889 | NCGC00259943-01 | p-메틸 스티렌 | 4- 메틸 스티렌

사양 및 순도

≥96%, TBC로 안정화됨

보관 조건

2-8°C, 아르곤 충전 상태로 보관

배송

젖은 얼음

순수함

≥96%

이름과 식별자

Pubchem Sid

504752273

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752273

정식 스마일

CC1=CC=C(C=C1)C=C

IUPAC Name

1-ethenyl-4-methylbenzene

InChIKey

JLBJTVDPSNHSKJ-UHFFFAOYSA-N

INCHI

1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3

이성체 SMILES

CC1=CC=C(C=C1)C=C

RTECS

WL5076000

UN 번호

1993

포장 그룹

I

분자량

118.18

Beilstein

5485

Reaxy-Rn

1209317

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209317&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Toluenes Aromatic hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Toluene - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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: Miscible with benzene. slightly miscible with water.
• 감도: air sensitive & heat sensitive
• 굴절률: 1.54
• 발화점(°C): 45°C(lit.)
• 끓는점(°C): 175 °C
• 분자량: 118.180 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 118.078 Da
• Monoisotopic Mass: 118.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 86.200
• 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