3-(4-Bromophenyl)-5-isoxazolamine - ≥97% , CAS No.119162-53-7

CAS: 119162-53-7 Cat. No.: B166337 Summenformel: C₉H₇BrN₂O Molekulargewicht: 239.07 EG-Nummer: 839-375-8

GRADE & PURITY ≥97%

Synonyms

SCHEMBL2159925 | DTXSID10409742 | 3-(4-BROMO-PHENYL)ISOXAZOL-5-YLAMINE | MFCD06199354 | AKOS000261609 | SR-01000097782-1 | 2Z-0824 | 5-Amino-3-(4-bromophenyl)isoxazole | ChemDiv2_002950 | EN300-1073090 | F1984-0146 | Z335439006 | AM804370 | SINOVASL-02580

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

SCHEMBL2159925 | DTXSID10409742 | 3-(4-BROMO-PHENYL)ISOXAZOL-5-YLAMINE | MFCD06199354 | AKOS000261609 | SR-01000097782-1 | 2Z-0824 | 5-Amino-3-(4-bromophenyl)isoxazole | ChemDiv2_002950 | EN300-1073090 | F1984-0146 | Z335439006 | AM804370 | SINOVASL-02580

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528758163

Kanonisches Lächeln

C1=CC(=CC=C1C2=NOC(=C2)N)Br

IUPAC Name

3-(4-bromophenyl)-1,2-oxazol-5-amine

InChIKey

RKWRDXQHQYRFCX-UHFFFAOYSA-N

INCHI

1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2

Isomere SMILES

C1=CC(=CC=C1C2=NOC(=C2)N)Br

Molekulargewicht

239.07

Reaxy-Rn

8763324

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8763324&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Primary aromatic amines Aryl bromides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bromobenzene - Aryl bromide - Aryl halide - Primary aromatic amine - Azole - Heteroaromatic compound - Isoxazole - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Primary amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 239.070 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 237.974 Da
• Monoisotopic Mass: 237.974 Da
• Topological Polar Surface Area: 52.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 171.000
• 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