3-Iodobenzhydrazide - ≥95% , CAS No.39115-94-1

CAS: 39115-94-1 Cat. No.: I300212 Formule: C₇H₇IN₂O Poids moléculaire: 262.05 Numéro CE: 674-178-9

GRADE & PURITY ≥95%

Synonyms

SR-01000416449-1 | DTXSID00346854 | A824408 | EN300-1262919 | FT-0676454 | MFCD00270106 | SY078956 | SB85920 | AKOS000484016 | 3-Iodobenzohydrazide # | SR-01000416449 | 3-Iodobenzohydrazide | AE-641/02329020 | STK083342 | 3-Iodo-benzoic acid hydrazide | A

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

SR-01000416449-1 | DTXSID00346854 | A824408 | EN300-1262919 | FT-0676454 | MFCD00270106 | SY078956 | SB85920 | AKOS000484016 | 3-Iodobenzohydrazide # | SR-01000416449 | 3-Iodobenzohydrazide | AE-641/02329020 | STK083342 | 3-Iodo-benzoic acid hydrazide | A

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Sourires canoniques

C1=CC(=CC(=C1)I)C(=O)NN

IUPAC Name

3-iodobenzohydrazide

InChIKey

SSWUMULSRFHKKU-UHFFFAOYSA-N

INCHI

1S/C7H7IN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)

Isomères SMILES

C1=CC(=CC(=C1)I)C(=O)NN

Poids moléculaire

262.05

Reaxy-Rn

1945821

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1945821&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 3-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 3-halobenzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Iodobenzenes Aryl iodides Carboxylic acid hydrazides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-halobenzoic acid or derivatives - Benzoyl - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic nitrogen compound - Organoiodide - Organohalogen 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 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of 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

Propriétés chimiques et physiques

• Point de fusion (°C): 151-153°
• Poids moléculaire: 262.050 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 261.96 Da
• Monoisotopic Mass: 261.96 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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