1-(2-Chloroethoxy)-4-nitrobenzene - ≥98% , CAS No.3383-72-0

CAS: 3383-72-0 Cat. No.: C192821 Formula: C₈H₈ClNO₃ Peso molecolare: 201.61 Numero EC: 620-984-0

QUALITÀ & PUREZZA ≥98%

Synonyms

2-(4-Nitrophenoxy)ethylchlorid|4-Nitro-1-(2-chloroethoxy)benzene|4-(2-Chloroethoxy)nitrobenzene|2-[4-nitrophenoxy]ethyl chloride|1-(2-chloroethyloxy)-4-nitro-benzene|Benzene, 1-(2-chloroethoxy)-4-nitro-|1(2-chloroethoxy)-4-nitrobenzene|2-(4-Nitrophenoxy)ethyl chloride|4-nitro-(2-chloroethoxy)benzene|1-(2-chloro-ethoxy)-4-nitro-benzene|1-(2-Chloroethoxy)-4-nitrobenzene|4-Nitrophenyl 2-chloroethyl ether|beta-Chloro-4-nitrophenethole|2-chloroethyl 4-nitrophenyl ether|2-CHLOROETHYL-4-NITROPHENYL ETHER

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

2-(4-Nitrophenoxy)ethylchlorid | 4-Nitro-1-(2-chloroethoxy)benzene | 4-(2-Chloroethoxy)nitrobenzene | 2-[4-nitrophenoxy]ethyl chloride | 1-(2-chloroethyloxy)-4-nitro-benzene | Benzene, 1-(2-chloroethoxy)-4-nitro- | 1(2-chloroethoxy)-4-nitrobenzene | 2-(4-Nitrophenoxy)ethyl chloride | 4-nitro-(2-chloroethoxy)benzene | 1-(2-chloro-ethoxy)-4 Mostra altro

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488193400

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193400

Sorrisi canonici

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

IUPAC Name

1-(2-chloroethoxy)-4-nitrobenzene

InChIKey

OBCFOPGCTNULTG-UHFFFAOYSA-N

INCHI

1S/C8H8ClNO3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2

Isomeri SMILES

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

Peso molecolare

201.61

Reaxy-Rn

2097342

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2097342&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 206 °C/25 mmHg
• Punto di fusione (°C): 59 °C
• Peso molecolare: 201.610 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.019 Da
• Monoisotopic Mass: 201.019 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 163.000
• 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