m-nitrochlorobenzene - analytical standard, for environmental analysis, ≥99.6%(GC) , CAS No.121-73-3

CAS: 121-73-3 Cat. No.: C100477 分子式: C₆H₄ClNO₂ 分子量: 157.55 Beilstein Registry Number: 1907947 EC番号: 204-496-1

グレード＆純度 Analytical standard, for Environmental analysis, ≥99.6%(GC)

Synonyms

1-Chloro-3-nitrobenzene|121-73-3|m-Chloronitrobenzene|3-Nitrochlorobenzene|m-Nitrochlorobenzene|3-Chloronitrobenzene|BENZENE, 1-CHLORO-3-NITRO-|Chloro-m-nitrobenzene|3-Chloro-1-nitrobenzene|Metachloronitrobenzene|1-Chloro-3-nitro-benzene|NSC 5502|8XSA3GF8

Storage

Room temperature

Shipped In

FedEx DG Service

仕様

同義語

1-Chloro-3-nitrobenzene | 121-73-3 | m-Chloronitrobenzene | 3-Nitrochlorobenzene | m-Nitrochlorobenzene | 3-Chloronitrobenzene | BENZENE, 1-CHLORO-3-NITRO- | Chloro-m-nitrobenzene | 3-Chloro-1-nitrobenzene | Metachloronitrobenzene | 1-Chloro-3-nitro-benzene | NSC 5502 | 8XSA3GF8

仕様と純度

analytical standard, for environmental analysis, ≥99.6%(GC)

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質, 環境分析用

純度

≥99.6%(GC)

名前と識別子

パブケム・シド

528776259

カノニカル・スマイル

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

IUPAC Name

1-chloro-3-nitrobenzene

InChIKey

KMAQZIILEGKYQZ-UHFFFAOYSA-N

INCHI

1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H

異性体SMILES

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

WGKドイツ

3

RTECS

CZ0940000

UN番号

1578

包装グループ

II

分子量

157.55

Beilstein

1907947

Reaxy-Rn

1907947

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907947&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: 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: C-nitro compound

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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in hot ethanol, chloroform, ether, carbon disulfide and glacial acetic acid, slightly soluble in cold ethanol, insoluble in water
• 引火点（°F）: 255.2 °F
• 引火点（°C）: 124 °C
• 沸点（°C）: 236°C
• 融点（°C）: 46°C
• 分子量: 157.550 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 156.993 Da
• Monoisotopic Mass: 156.993 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 134.000
• 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