4-Isocyanatobenzophenone - ≥95% , CAS No.63648-38-4

CAS: 63648-38-4 Cat. No.: B301347 分子式: C₁₄H₉NO₂ 分子量: 223.23 EC番号: 103-408-8

GRADE & PURITY ≥95%

Synonyms

(4-Isocyanatophenyl)-Phenyl-Methanone | (4-Isocyanatophenyl)(phenyl)methanone

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

(4-Isocyanatophenyl)-Phenyl-Methanone | (4-Isocyanatophenyl)(phenyl)methanone

仕様と純度

≥95%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

カノニカル・スマイル

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N=C=O

IUPAC Name

(4-isocyanatophenyl)-phenylmethanone

InChIKey

UUUAWYNSKSCNMD-UHFFFAOYSA-N

INCHI

1S/C14H9NO2/c16-10-15-13-8-6-12(7-9-13)14(17)11-4-2-1-3-5-11/h1-9H

異性体SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N=C=O

WGKドイツ

3

分子量

223.23

Reaxy-Rn

3274441

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3274441&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Isocyanate - Ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

化学的性質と物理的性質

• 分子量: 223.230 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 223.063 Da
• Monoisotopic Mass: 223.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 306.000
• 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