2-Ethynyl-1,4-dimethylbenzene - ≥97% , CAS No.74331-70-7

CAS: 74331-70-7 Cat. No.: E469623 분자식: C₁₀H₁₀ 분자량: 130.19 EC 번호: 624-583-1

GRADE & PURITY ≥97%

Synonyms

MFCD05664209 | 2-Ethynyl-1,4-dimethylbenzene, 97% | 2-Ethynyl-1,4-dimethylbenzene | 2-ethynyl-1,4-dimethyl-benzene | FT-0641511 | AKOS010651618 | A838095 | DTXSID90571294 | EN300-1231824 | 2-Ethynyl-p-xylene

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

동의어

MFCD05664209 | 2-Ethynyl-1,4-dimethylbenzene, 97% | 2-Ethynyl-1,4-dimethylbenzene | 2-ethynyl-1,4-dimethyl-benzene | FT-0641511 | AKOS010651618 | A838095 | DTXSID90571294 | EN300-1231824 | 2-Ethynyl-p-xylene

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

정식 스마일

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

IUPAC Name

2-ethynyl-1,4-dimethylbenzene

InChIKey

UNUIVBVNLZPXCR-UHFFFAOYSA-N

INCHI

1S/C10H10/c1-4-10-7-8(2)5-6-9(10)3/h1,5-7H,2-3H3

이성체 SMILES

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

WGK 독일

3

분자량

130.19

Reaxy-Rn

2552513

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2552513&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Xylenes
• Alternative Parents: Aromatic hydrocarbons Acetylides Acetylenes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-xylene - Aromatic hydrocarbon - Acetylide - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
• 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

• 감도: light sensitive
• 굴절률: n20/D 1.5410 (lit.)
• 발화점(°F): 8.6 °F
• 발화점(°C): -13 °C
• 끓는점(°C): 193-194 °C (lit.)
• 분자량: 130.190 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 130.078 Da
• Monoisotopic Mass: 130.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 149.000
• 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