4-Nitro-1-indanone - ≥97% , CAS No.24623-25-4

CAS: 24623-25-4 Cat. No.: N299491 분자식: C₉H₇NO₃ 분자량: 177.16 EC 번호: 246-367-2

GRADE & PURITY ≥97%

Synonyms

4-Nitro-indan-1-one | 4-Nitroindan-1-one | QIIWEVWPOBNGLP-UHFFFAOYSA-N | SB36154 | EINECS 246-367-2 | ethyl5-fluoro-indole-2-carboxylate | FT-0646057 | MFCD06656901 | 4-NITRO-1-INDANONE | AC-2271 | C.I. Acid Orange 6 | ND-0700 | UNII-887RZ2KVC6 | AM200400

Storage

Room temperature

Shipped In

Normal

개요

Product Application：

4-Nitroindanone is a versatile building block, capable of undergoing microwave-assisted oxidation to form ninhydrins. 4-Nitroindanone also has pharmaceutical relevance, as its thiosemicarbazone derivative has anti-Trypanosoma cruzi properties.

Specifications

동의어

4-Nitro-indan-1-one | 4-Nitroindan-1-one | QIIWEVWPOBNGLP-UHFFFAOYSA-N | SB36154 | EINECS 246-367-2 | ethyl5-fluoro-indole-2-carboxylate | FT-0646057 | MFCD06656901 | 4-NITRO-1-INDANONE | AC-2271 | C.I. Acid Orange 6 | ND-0700 | UNII-887RZ2KVC6 | AM200400

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

504756036

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756036

정식 스마일

C1CC(=O)C2=C1C(=CC=C2)[N+](=O)[O-]

IUPAC Name

4-nitro-2,3-dihydroinden-1-one

InChIKey

QIIWEVWPOBNGLP-UHFFFAOYSA-N

INCHI

1S/C9H7NO3/c11-9-5-4-6-7(9)2-1-3-8(6)10(12)13/h1-3H,4-5H2

이성체 SMILES

C1CC(=O)C2=C1C(=CC=C2)[N+](=O)[O-]

분자량

177.16

Reaxy-Rn

1570298

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1570298&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Nitroaromatic compounds Aryl alkyl ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Ketone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
• 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

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive
• 발화점(°C): 170.4℃
• 끓는점(°C): 332.9℃ at 760 mmHg
• 분자량: 177.160 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 177.043 Da
• Monoisotopic Mass: 177.043 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 246.000
• 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