3-Vinylanisole - ≥97% , CAS No.626-20-0

CAS: 626-20-0 Cat. No.: V469467 분자식: C₆H₄(OCH₃)CHCH₂ 분자량: 134.18 PubChem CID: 584146

GRADE & PURITY ≥97%

Synonyms

3-Vinylanisole | 3-vinyl-anisole | DTXSID90342749 | 3-methoxystyrene | m-vinylanisole | MFCD03427262 | 3-Vinylanisole (3-Methoxystyrene), stabilized with 4-t-Butylcatechol | 1-Methoxy-3-vinylbenzene # | SY032033 | 3-Vinylanisole, 97% | 3-VINYLANISOLE 97

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

Inhibited with 1000ppmp-tert-butylcatechol

Specifications

동의어

3-Vinylanisole | 3-vinyl-anisole | DTXSID90342749 | 3-methoxystyrene | m-vinylanisole | MFCD03427262 | 3-Vinylanisole (3-Methoxystyrene), stabilized with 4-t-Butylcatechol | 1-Methoxy-3-vinylbenzene # | SY032033 | 3-Vinylanisole, 97% | 3-VINYLANISOLE 97

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%

이름과 식별자

정식 스마일

COC1=CC=CC(=C1)C=C

IUPAC Name

1-ethenyl-3-methoxybenzene

InChIKey

PECUPOXPPBBFLU-UHFFFAOYSA-N

INCHI

1S/C9H10O/c1-3-8-5-4-6-9(7-8)10-2/h3-7H,1H2,2H3

이성체 SMILES

COC1=CC=CC(=C1)C=C

WGK 독일

3

PubChem CID

584146

분자량

134.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Styrene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

• 굴절률: 1.5540 (lit.)
• 발화점(°F): 170.6 °F
• 발화점(°C): 77 °C
• 끓는점(°C): 204-205° C (lit.)
• 분자량: 134.170 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 134.073 Da
• Monoisotopic Mass: 134.073 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 109.000
• 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