2-Nitroaniline - analytical standard, ≥99.5% , CAS No.88-74-4

CAS: 88-74-4 Cat. No.: N108457 분자식: C₆H₆N₂O₂ 분자량: 138.13 Beilstein Registry Number: 509275 EC 번호: 201-855-4

GRADE & PURITY Analytical standard, ≥99.5%

Synonyms

Brentamine Fast Orange GR Base | o-Nitroaniline | o-nitro-aniline | 1-Amino-2-nitrobenzene | DTXSID1025726 | Azogene Fast Orange GR | CI 37025 | Azoene Fast Orange GR Base | Azoic Diazo Component 6 | CI Azoic Diazo Component 6 | NCGC00259920-01 | o-Aminon

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

Brentamine Fast Orange GR Base | o-Nitroaniline | o-nitro-aniline | 1-Amino-2-nitrobenzene | DTXSID1025726 | Azogene Fast Orange GR | CI 37025 | Azoene Fast Orange GR Base | Azoic Diazo Component 6 | CI Azoic Diazo Component 6 | NCGC00259920-01 | o-Aminon

사양 및 순도

analytical standard, ≥99.5%

보관 조건

Protected from light,Room temperature

배송

FedEx DG Service

등급

분석 표준물질

순수함

≥99.5%

이름과 식별자

Pubchem Sid

504751209

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751209

정식 스마일

C1=CC=C(C(=C1)N)[N+](=O)[O-]

IUPAC Name

2-nitroaniline

InChIKey

DPJCXCZTLWNFOH-UHFFFAOYSA-N

INCHI

1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2

이성체 SMILES

C1=CC=C(C(=C1)N)[N+](=O)[O-]

WGK 독일

1

RTECS

BY6650000

UN 번호

1661

포장 그룹

II

분자량

138.13

Beilstein

509275

Reaxy-Rn

509275

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509275&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Aniline and substituted anilines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - 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 - Organic zwitterion - Primary amine - Organonitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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

관련 대상(인간)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive.
• 끓는점(°C): 284°C
• 녹는점(°C): 70-74°C
• 분자량: 138.120 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 138.043 Da
• Monoisotopic Mass: 138.043 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 132.000
• 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