Diphenylamine Hydrochloride - ≥97% , CAS No.537-67-7

CAS: 537-67-7 Cat. No.: D154703 Molecular Weight: 205.69 EC Number: 208-675-5

GRADE & PURITY ≥97%

Synonyms

A829765 | SCHEMBL192934 | Q27276335 | EINECS 208-675-5 | FT-0625253 | HY-N7133 | AS-59086 | F0001-1394 | NSC6783 | NSC-6783 | SY097911 | Benzenamine, N-phenyl-, hydrochloride (1:1) | NSC 6783 | Diphenylamine hydrochloride | Diphenylamine (hydrochloride) |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

A829765 | SCHEMBL192934 | Q27276335 | EINECS 208-675-5 | FT-0625253 | HY-N7133 | AS-59086 | F0001-1394 | NSC6783 | NSC-6783 | SY097911 | Benzenamine, N-phenyl-, hydrochloride (1:1) | NSC 6783 | Diphenylamine hydrochloride | Diphenylamine (hydrochloride) |

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504754277
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754277
• Canonical Smiles: C1=CC=C(C=C1)NC2=CC=CC=C2.Cl
• IUPAC Name: N-phenylaniline;hydrochloride
• InChIKey: JEFJSEIUEJBMSR-UHFFFAOYSA-N
• INCHI: 1S/C12H11N.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10,13H;1H
• Isomeric SMILES: C1=CC=C(C=C1)NC2=CC=CC=C2.Cl
• Molecular Weight: 205.69
• Reaxy-Rn: 3693106
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3693106&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Secondary amines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Chemical and Physical Properties

• Solubility: Solubility in Methanol almost transparency
• Sensitivity: Air &Light &Heat sensitive
• Melt Point(°C): 180 °C(dec.)
• Molecular Weight: 205.680 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 205.066 Da
• Monoisotopic Mass: 205.066 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 116.000
• 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: 2

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