Mesitaldehyde - ≥95% , CAS No.487-68-3

CAS: 487-68-3 Cat. No.: M109959 분자식: C₁₀H₁₂O 분자량: 148.2 Beilstein Registry Number: 1364114 EC 번호: 207-662-1

GRADE & PURITY ≥95%

Synonyms

SY035572 | NSC29094 | NSC-29094 | W-106040 | BRN 1364114 | CAS-487-68-3 | Isodural | Mesitaldehyde, Vetec(TM) reagent grade, 98% | AKOS000120393 | 2,6-Trimethylbenzaldehyde | DTXCID7030694 | MFCD00003341 | Tox21_303703 | b-Isodural | Mesitylenecarboxaldeh

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

동의어

SY035572 | NSC29094 | NSC-29094 | W-106040 | BRN 1364114 | CAS-487-68-3 | Isodural | Mesitaldehyde, Vetec(TM) reagent grade, 98% | AKOS000120393 | 2,6-Trimethylbenzaldehyde | DTXCID7030694 | MFCD00003341 | Tox21_303703 | b-Isodural | Mesitylenecarboxaldeh

사양 및 순도

≥95%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

• Pubchem Sid: 488181097
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181097
• 정식 스마일: CC1=CC(=C(C(=C1)C)C=O)C
• IUPAC Name: 2,4,6-trimethylbenzaldehyde
• InChIKey: HIKRJHFHGKZKRI-UHFFFAOYSA-N
• INCHI: 1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3
• 이성체 SMILES: CC1=CC(=C(C(=C1)C)C=O)C
• WGK 독일: 3
• RTECS: CU8500000
• 분자량: 148.2
• Beilstein: 1364114
• Reaxy-Rn: 1364114
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1364114&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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: Soluble in Chloroform
• 감도: light & Air sensitive
• 동결점(°C): 11 °C
• 굴절률: 1.553
• 발화점(°F): 222.8 °F
• 발화점(°C): 106 °C
• 끓는점(°C): 237°C
• 녹는점(°C): 11°C
• 분자량: 148.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 148.089 Da
• Monoisotopic Mass: 148.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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

참고 문헌

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2. Yan Chen, Zhao Mo, Xingtong Zhu, Qingxiang Xu, Zhaoli Xue, Henan Li, Hui Xu, Long Zhao.  (2021)  Facilitated interfacial charge separation using triphenylamine-zinc porphyrin dyad-sensitized TiO2 nanoparticles for photocatalysis.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2021.161795]

3. Haodong Duan, Kangwei Leng, Xiaolei Xu, Qianmin Li, Dayong Liu, Yuxi Han, Jun Gao, Qing Yu, Zhongwei Wang.  (2021)  Monoacylphosphine oxides with substituents in the phosphonyl moiety as Norrish I photoinitiators: Synthesis, photoinitiattion properties and mechanism.  JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,      [PMID:] [10.1016/j.jphotochem.2021.113517]

4. Qingxiang Xu, Long Zhao, Yuhan Ma, Rui Yuan, Maosong Liu, Zhaoli Xue, Henan Li, Jianming Zhang, Xinping Qiu.  (2021)  Substituents and the induced partial charge effects on cobalt porphyrins catalytic oxygen reduction reactions in acidic medium.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:33872883] [10.1016/j.jcis.2021.04.009]

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