3-Bromo-4-chlorobenzhydrazide - ≥95% , CAS No.148993-18-4

CAS: 148993-18-4 Cat. No.: B299925 Formula: C₇H₆BrClN₂O Peso molecolare: 249.49 Numero EC: 673-537-7

QUALITÀ & PUREZZA ≥95%

Synonyms

FT-0682063 | 2-bromo-1-chlorobenzene-4-carbohydrazide | 3-bromanyl-4-chloranyl-benzohydrazide | AKOS015834239 | 3-Bromo-4-chlorobenzhydrazide | SB86616 | Benzoic acid,3-bromo-4-chloro-,hydrazide | SCHEMBL6154331 | 3-bromo-4-chlorobenzohydrazide | MFCD0027

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

FT-0682063 | 2-bromo-1-chlorobenzene-4-carbohydrazide | 3-bromanyl-4-chloranyl-benzohydrazide | AKOS015834239 | 3-Bromo-4-chlorobenzhydrazide | SB86616 | Benzoic acid,3-bromo-4-chloro-,hydrazide | SCHEMBL6154331 | 3-bromo-4-chlorobenzohydrazide | MFCD0027

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1=CC(=C(C=C1C(=O)NN)Br)Cl

IUPAC Name

3-bromo-4-chlorobenzohydrazide

InChIKey

MPLUVSFWRCWHFP-UHFFFAOYSA-N

INCHI

1S/C7H6BrClN2O/c8-5-3-4(7(12)11-10)1-2-6(5)9/h1-3H,10H2,(H,11,12)

Isomeri SMILES

C1=CC(=C(C=C1C(=O)NN)Br)Cl

Peso molecolare

249.49

Reaxy-Rn

21886949

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21886949&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 Benzoyl derivatives Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Carboxylic acid hydrazides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl bromide - Aryl halide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 249.490 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 247.935 Da
• Monoisotopic Mass: 247.935 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 179.000
• 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