3,5-dimethyl-4-nitrophenol - ≥97% , CAS No.5344-97-8

CAS: 5344-97-8 Cat. No.: D634059 Summenformel: C₈H₉NO₃ Molekulargewicht: 167.16 EG-Nummer: 963-186-0 PubChem CID: 138466

GRADE & PURITY ≥97%

Synonyms

Z1255485872 | 3,5-DIMETHYL-4-NITROPHENOL | 3,5-dimethyl-4-nitro-phenol | NSC2985 | NSC-2985 | 3,5-Xylenol, 4-nitro- | DTXSID50201606 | SY034419 | FT-0755546 | NSC 2985 | SCHEMBL487041 | 3,5-Xylenol, 4-nitro-, | CK1186 | EN300-333614 | Phenol, 3,5-dimethyl

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

Z1255485872 | 3,5-DIMETHYL-4-NITROPHENOL | 3,5-dimethyl-4-nitro-phenol | NSC2985 | NSC-2985 | 3,5-Xylenol, 4-nitro- | DTXSID50201606 | SY034419 | FT-0755546 | NSC 2985 | SCHEMBL487041 | 3,5-Xylenol, 4-nitro-, | CK1186 | EN300-333614 | Phenol, 3,5-dimethyl

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528758008

Kanonisches Lächeln

CC1=CC(=CC(=C1[N+](=O)[O-])C)O

IUPAC Name

3,5-dimethyl-4-nitrophenol

InChIKey

MMLPWOHLKRXZJA-UHFFFAOYSA-N

INCHI

1S/C8H9NO3/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4,10H,1-2H3

Isomere SMILES

CC1=CC(=CC(=C1[N+](=O)[O-])C)O

Alternative CAS-Nummer

5344-97-8

PubChem CID

138466

NSC-Nummer

2985

Molekulargewicht

167.16

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: Nitrotoluenes Nitrobenzenes m-Xylenes Nitroaromatic compounds Meta cresols 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Nitrotoluene - M-cresol - Nitroaromatic compound - Xylene - M-xylene - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - 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 - Organic oxoazanium - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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

• Empfindlichkeit: light sensitive
• Molekulargewicht: 167.160 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 167.058 Da
• Monoisotopic Mass: 167.058 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 166.000
• 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