3-Chloro-2-nitrophenol - ≥98% , CAS No.17802-02-7

CAS: 17802-02-7 Cat. No.: C182184 Summenformel: C₆H₄ClNO₃ Molekulargewicht: 173.55 EG-Nummer: 816-160-7

GRADE & PURITY ≥98%

Synonyms

A812333 | FT-0701418 | Phenol, chloro-2-nitro- | AM82859 | SB73978 | CL8481 | DFMDAJMTLJGKFW-UHFFFAOYSA-N | MFCD08703192 | SY045538 | chloronitrophenol | AKOS006291527 | DS-18221 | 3-Chloro-2-nitrophenol | 3-chloro-2-nitro-phenol | EN300-96105 | SCHEMBL12

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

A812333 | FT-0701418 | Phenol, chloro-2-nitro- | AM82859 | SB73978 | CL8481 | DFMDAJMTLJGKFW-UHFFFAOYSA-N | MFCD08703192 | SY045538 | chloronitrophenol | AKOS006291527 | DS-18221 | 3-Chloro-2-nitrophenol | 3-chloro-2-nitro-phenol | EN300-96105 | SCHEMBL12

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

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

IUPAC Name

3-chloro-2-nitrophenol

InChIKey

DFMDAJMTLJGKFW-UHFFFAOYSA-N

INCHI

1S/C6H4ClNO3/c7-4-2-1-3-5(9)6(4)8(10)11/h1-3,9H

Isomere SMILES

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

Molekulargewicht

173.55

Reaxy-Rn

2096038

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2096038&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Nitrobenzenes M-chlorophenols Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic salts Organochlorides Organonitrogen compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Nitroaromatic compound - 3-halophenol - 3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 173.550 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.988 Da
• Monoisotopic Mass: 172.988 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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