4-Phenylazophenacyl Bromide - ≥98% , CAS No.62625-24-5

CAS: 62625-24-5 Cat. No.: P160792 분자식: C₁₄H₁₁BrN₂O 분자량: 303.16 EC 번호: 677-949-8 PubChem CID: 112886

GRADE & PURITY ≥98%

Synonyms

Ethanone, 2-bromo-1-[4-(phenylazo)phenyl]- | SCHEMBL571677 | 2-bromo-1-(4-phenyldiazenylphenyl)ethanone | AKOS025295559 | DTXSID0069595 | 2-Bromo-4'-phenylazoacetophenone | AS-79121 | 2-Bromo-1-(4-(phenyldiazenyl)phenyl)ethanone | MFCD00017875

Storage

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

Shipped In

Wet ice

Specifications

동의어

Ethanone, 2-bromo-1-[4-(phenylazo)phenyl]- | SCHEMBL571677 | 2-bromo-1-(4-phenyldiazenylphenyl)ethanone | AKOS025295559 | DTXSID0069595 | 2-Bromo-4'-phenylazoacetophenone | AS-79121 | 2-Bromo-1-(4-(phenyldiazenyl)phenyl)ethanone | MFCD00017875

사양 및 순도

≥98%

보관 조건

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

배송

Wet ice

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순수함

≥98%

이름과 식별자

• 정식 스마일: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CBr
• IUPAC Name: 2-bromo-1-(4-phenyldiazenylphenyl)ethanone
• InChIKey: ZXTGCMLCYPYCID-UHFFFAOYSA-N
• INCHI: 1S/C14H11BrN2O/c15-10-14(18)11-6-8-13(9-7-11)17-16-12-4-2-1-3-5-12/h1-9H,10H2
• 이성체 SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CBr
• PubChem CID: 112886
• 분자량: 303.16
• Reaxy-Rn: 914273

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Alpha-haloketones Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Azo compound - Ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Organic oxygen compound - Alkyl bromide - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• 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 & air sensitive
• 녹는점(°C): 104 °C
• 분자량: 303.150 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 302.005 Da
• Monoisotopic Mass: 302.005 Da
• Topological Polar Surface Area: 41.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 292.000
• 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