9-Methylanthracene - ≥98% , CAS No.779-02-2

CAS: 779-02-2 Cat. No.: M573197 분자식: C₁₅H₁₂ 분자량: 192.26 Beilstein Registry Number: 1907463 EC 번호: 212-299-7

등급 & 순도 ≥98%

Synonyms

CCRIS 2740 | 65NK4CIN03 | BBL103720 | NSC 400540 | UNII-65NK4CIN03 | EINECS 212-299-7 | MFCD00001261 | 9-methyl-anthracene | DTXSID3061134 | 9-methyl anthracene | NSC-400540 | WLN: L C666J B1 | CHEMBL1797294

Storage

Protected from light,Room temperature

Shipped In

Normal

사양

동의어

CCRIS 2740 | 65NK4CIN03 | BBL103720 | NSC 400540 | UNII-65NK4CIN03 | EINECS 212-299-7 | MFCD00001261 | 9-methyl-anthracene | DTXSID3061134 | 9-methyl anthracene | NSC-400540 | WLN: L C666J B1 | CHEMBL1797294

사양 및 순도

≥98%

보관 조건

Protected from light,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

528762955

정식 스마일

CC1=C2C=CC=CC2=CC3=CC=CC=C13

IUPAC Name

9-methylanthracene

InChIKey

CPGPAVAKSZHMBP-UHFFFAOYSA-N

INCHI

1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3

이성체 SMILES

CC1=C2C=CC=CC2=CC3=CC=CC=C13

WGK 독일

3

RTECS

CB0700000

UN 번호

3077

분자량

192.26

Beilstein

1907463

Reaxy-Rn

1907463

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907463&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water (0,0003 mg/L at 25°C) and toluene. Slightly soluble in benzene.
• 감도: Sensitive to light
• 끓는점(°C): 196-197°C/16mmHg
• 녹는점(°C): 76-79°C
• 분자량: 192.250 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 192.094 Da
• Monoisotopic Mass: 192.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 198.000
• 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