2-Chloro-4-methoxy-1-nitrobenzene - ≥95% , CAS No.28987-59-9

CAS: 28987-59-9 Cat. No.: C192556 Formula: C₇H₆ClNO₃ Peso molecolare: 187.58

GRADE & PURITY ≥95%

Synonyms

3-Chloro-4-nitroanisole | DTXSID50343999 | 2-Chloro-4-methoxynitrobenzene | A876566 | Benzene, 2-chloro-4-methoxy-1-nitro- | FT-0702055 | MB00782 | SCHEMBL1629413 | EN300-106433 | AC-24714 | s10425 | SY103861 | AKOS009493275 | 2-Chloro-4-methoxy-1-nitrobe

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

3-Chloro-4-nitroanisole | DTXSID50343999 | 2-Chloro-4-methoxynitrobenzene | A876566 | Benzene, 2-chloro-4-methoxy-1-nitro- | FT-0702055 | MB00782 | SCHEMBL1629413 | EN300-106433 | AC-24714 | s10425 | SY103861 | AKOS009493275 | 2-Chloro-4-methoxy-1-nitrobe

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 508808209
• Sorrisi canonici: COC1=CC(=C(C=C1)[N+](=O)[O-])Cl
• IUPAC Name: 2-chloro-4-methoxy-1-nitrobenzene
• InChIKey: QTIDRIQSPAELJC-UHFFFAOYSA-N
• INCHI: 1S/C7H6ClNO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
• Isomeri SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])Cl
• Peso molecolare: 187.58
• Reaxy-Rn: 641065
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=641065&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: Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers 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: Nitrophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - 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

• Peso molecolare: 187.580 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 187.004 Da
• Monoisotopic Mass: 187.004 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 171.000
• 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