2-Amino-5-nitro-2’-chlorobenzophenone - ≥98%(GC) , CAS No.2011-66-7

CAS: 2011-66-7 Cat. No.: A137511 Molecular Weight: 276.68 EC Number: 217-929-4

GRADE & PURITY ≥98%(GC)

Synonyms

(2-Amino-5-nitro-phenyl)-(2-chloro-phenyl)-methanone | (2-Amino-5-nitrophenyl)(2-chlorophenyl)methanone | AMY616 | RL4AJ2Z1GR | Methylvinylnitrosamin | 2-Amino-2'-chloro-5-nitrobenzophenone | 2-Amino-5-nitro-2'-chlorbenzophenone | METHANONE, (2-AMINO-5-NI

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(2-Amino-5-nitro-phenyl)-(2-chloro-phenyl)-methanone | (2-Amino-5-nitrophenyl)(2-chlorophenyl)methanone | AMY616 | RL4AJ2Z1GR | Methylvinylnitrosamin | 2-Amino-2'-chloro-5-nitrobenzophenone | 2-Amino-5-nitro-2'-chlorbenzophenone | METHANONE, (2-AMINO-5-NI

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488184988
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184988
• Canonical Smiles: C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)Cl
• IUPAC Name: (2-amino-5-nitrophenyl)-(2-chlorophenyl)methanone
• InChIKey: GRDGBWVSVMLKBV-UHFFFAOYSA-N
• INCHI: 1S/C13H9ClN2O3/c14-11-4-2-1-3-9(11)13(17)10-7-8(16(18)19)5-6-12(10)15/h1-7H,15H2
• Isomeric SMILES: C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)Cl
• Molecular Weight: 276.68
• Reaxy-Rn: 2814216
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2814216&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Aryl-phenylketones Diphenylmethanes Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Vinylogous halides Vinylogous amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organochlorides Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl ketone - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Vinylogous amide - Organic nitro compound - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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: Soluble in Methanol
• Sensitivity: Air Sensitive
• Melt Point(°C): 121 °C
• Molecular Weight: 276.670 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 276.03 Da
• Monoisotopic Mass: 276.03 Da
• Topological Polar Surface Area: 88.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 358.000
• 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