Difenilcarbazide - ACS , CAS No.140-22-7

CAS: 140-22-7 Cat. No.: D111668 Formula: C₁₃H₁₄N₄O Peso molecolare: 242.28 Beilstein Registry Number: 752039 Numero EC: 205-403-7

GRADE & PURITY ACS

Synonyms

2,5-Diphenylcarbazide | NSC 5058 | 1,5-Diphenylcabohydrazide | 1,5-Diphenylcarbazide, reagent grade | A807630 | STL283945 | Carbonic dihydrazide, 2,2'-diphenyl- | 1,5-Diphenylcarbazide, JIS special grade | Carbonic dihydrazide,2'-diphenyl- | Diphenyl carb

Storage

Conservare a 2-8°C, con carica di argon

Shipped In

Ghiaccio umido

Specifications

Sinonimi

2,5-Diphenylcarbazide | NSC 5058 | 1,5-Diphenylcabohydrazide | 1,5-Diphenylcarbazide, reagent grade | A807630 | STL283945 | Carbonic dihydrazide, 2,2'-diphenyl- | 1,5-Diphenylcarbazide, JIS special grade | Carbonic dihydrazide,2'-diphenyl- | Diphenyl carb

Specifiche e purezza

ACS

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, con carica di argon

Spedito in

Ghiaccio umido

Grado

ACS

Nomi e identificatori

Pubchem Sid

508812301

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812301

Sorrisi canonici

C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2

IUPAC Name

1,3-dianilinourea

InChIKey

KSPIHGBHKVISFI-UHFFFAOYSA-N

INCHI

1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)

Isomeri SMILES

C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2

WGK Germania

3

RTECS

FF2750000

Peso molecolare

242.28

Beilstein

752039

Reaxy-Rn

752039

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=752039&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylhydrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylhydrazines
• Alternative Parents: Semicarbazides Organic carbonic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylhydrazine - Semicarbazide - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group.
• External Descriptors: phenylhydrazines

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

Proprietà chimiche e fisiche

• Sensibilità: Air & Light & Heat Sensitive
• Punto di fusione (°C): 168-175°C
• Peso molecolare: 242.280 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.117 Da
• Monoisotopic Mass: 242.117 Da
• Topological Polar Surface Area: 65.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 223.000
• 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