3,4-Dichlorobenzhydrazide - ≥98% , CAS No.28036-91-1

CAS: 28036-91-1 Cat. No.: D303318 Formule: C₇H₆Cl₂N₂O Poids moléculaire: 205.04 Numéro CE: 630-247-5

GRADE & PURITY ≥98%

Synonyms

EN300-229305 | MFCD00017057 | Benzoic acid, 3,4-dichloro-, hydrazide | AMY202100066 | AKOS000148165 | 3,4-Dichlorobenzenecarbohydrazide | NSC523266 | NSC-523266 | 3,4-Dichlorobenzene-1-Carbohydrazide | 3,4-dichlorobenzhydrazide | D5392 | SCHEMBL1202191 |

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

EN300-229305 | MFCD00017057 | Benzoic acid, 3,4-dichloro-, hydrazide | AMY202100066 | AKOS000148165 | 3,4-Dichlorobenzenecarbohydrazide | NSC523266 | NSC-523266 | 3,4-Dichlorobenzene-1-Carbohydrazide | 3,4-dichlorobenzhydrazide | D5392 | SCHEMBL1202191 |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504758429
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758429
• Sourires canoniques: C1=CC(=C(C=C1C(=O)NN)Cl)Cl
• IUPAC Name: 3,4-dichlorobenzohydrazide
• InChIKey: VEDIADQJSGNNQE-UHFFFAOYSA-N
• INCHI: 1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,10H2,(H,11,12)
• Isomères SMILES: C1=CC(=C(C=C1C(=O)NN)Cl)Cl
• Poids moléculaire: 205.04
• Reaxy-Rn: 1953970
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1953970&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 4-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: 4-halobenzoic acids and derivatives
• Alternative Parents: 3-halobenzoic acids and derivatives Dichlorobenzenes Benzoyl derivatives Aryl chlorides Carboxylic acid hydrazides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - 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 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-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

• Sensibilité: light & air sensitive
• Point de fusion (°C): 157-160°
• Poids moléculaire: 205.040 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.986 Da
• Monoisotopic Mass: 203.986 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 177.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 28036-91-1, the molecular formula is C7H6Cl2N2O, and the molecular weight is 205.04 g/mol. InChIKey VEDIADQJSGNNQE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.