3'-Nitroformanilide (mixture of isomers) - ≥95%(mixture of isomers) , CAS No.102-38-5

CAS: 102-38-5 Cat. No.: N165511 Formule: C₇H₆N₂O₃ Poids moléculaire: 166.13 Numéro CE: 654-939-1

GRADE & PURITY ≥95%(mixture of isomers)

Synonyms

AKOS005383178 | Formamide,N-(3-nitrophenyl)- | MS-10596 | 3'-Nitroformanilide | 3-Nitroformanilide | m-Nitroformanilide | MFCD00017014 | N-Formyl-m-nitroaniline | N-(3-Nitrophenyl)formamide | metanitroformanilide | STK039675 | DTXSID90344465 | 3-Nitrophen

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonymes

AKOS005383178 | Formamide,N-(3-nitrophenyl)- | MS-10596 | 3'-Nitroformanilide | 3-Nitroformanilide | m-Nitroformanilide | MFCD00017014 | N-Formyl-m-nitroaniline | N-(3-Nitrophenyl)formamide | metanitroformanilide | STK039675 | DTXSID90344465 | 3-Nitrophen

Spécifications et pureté

≥95%(mixture of isomers)

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%(mixture of isomers)

Noms et identifiants

• Sourires canoniques: C1=CC(=CC(=C1)[N+](=O)[O-])NC=O
• IUPAC Name: N-(3-nitrophenyl)formamide
• InChIKey: QCDUUALALDXTAD-UHFFFAOYSA-N
• INCHI: 1S/C7H6N2O3/c10-5-8-6-2-1-3-7(4-6)9(11)12/h1-5H,(H,8,10)
• Isomères SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NC=O
• Poids moléculaire: 166.13
• Reaxy-Rn: 2210047
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210047&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: Nitrobenzenes
• Alternative Parents: Anilides Nitroaromatic compounds N-arylamides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic zwitterion - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: 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: 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

Propriétés chimiques et physiques

• Poids moléculaire: 166.130 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 166.038 Da
• Monoisotopic Mass: 166.038 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 178.000
• 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