2-Cyanobenzamide - ≥96%(N) , CAS No.17174-98-0

CAS: 17174-98-0 Cat. No.: C153721 Formule: C₈H₆N₂O Poids moléculaire: 146.15 Numéro CE: 241-224-0

GRADE & PURITY ≥96%(N)

Synonyms

?2-CYANOBENZAMIDE | EINECS 241-224-0 | LS-12209 | AI3-03760 | 4-09-00-03268 (Beilstein Handbook Reference) | MFCD00014797 | BRN 2085900 | o-Cyanobenzamide | DTXSID9066170 | SCHEMBL262368 | AKOS006228547 | Benzamide, o-cyano- | 2-Cyanobenzamide | FT-063751

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

?2-CYANOBENZAMIDE | EINECS 241-224-0 | LS-12209 | AI3-03760 | 4-09-00-03268 (Beilstein Handbook Reference) | MFCD00014797 | BRN 2085900 | o-Cyanobenzamide | DTXSID9066170 | SCHEMBL262368 | AKOS006228547 | Benzamide, o-cyano- | 2-Cyanobenzamide | FT-063751

Spécifications et pureté

≥96%(N)

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Pureté

≥96%(N)

Noms et identifiants

Pubchem Sid

504754676

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754676

Sourires canoniques

C1=CC=C(C(=C1)C#N)C(=O)N

IUPAC Name

2-cyanobenzamide

InChIKey

STQPCKPKAIRSEL-UHFFFAOYSA-N

INCHI

1S/C8H6N2O/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H2,10,11)

Isomères SMILES

C1=CC=C(C(=C1)C#N)C(=O)N

RTECS

CV2483500

Poids moléculaire

146.15

Reaxy-Rn

2085900

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2085900&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzoyl derivatives Benzonitriles Primary carboxylic acid amides Nitriles Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Benzonitrile - Benzoyl - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a 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

Propriétés chimiques et physiques

• Poids moléculaire: 146.150 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.048 Da
• Monoisotopic Mass: 146.048 Da
• Topological Polar Surface Area: 66.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 203.000
• 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