3,4-dihydro-2H-benzo[b][1,4]oxazine - ≥95% , CAS No.5735-53-5

CAS: 5735-53-5 Cat. No.: H304033 Peso molecular: 135.17 Número EC: 689-049-2

GRADE & PURITY ≥95%

Synonyms

AKOS000271206 | MFCD02181098 | AM20040746 | FT-0655319 | 3,4-Dihydro-2H-1,4-benzoxazine # | SCHEMBL88894 | 3,4-dihydro-2H-benzo[b][1,4]oxazine | DTXSID00342856 | 3,4-Dihydro-1,4(2H)-benzoxazine | 3,4-dihydro-2H-1,4-benzooxazine | A858662 | 2H-1,4-Benzoxaz

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

AKOS000271206 | MFCD02181098 | AM20040746 | FT-0655319 | 3, 4-Dihydro-2H-1, 4-benzoxazine # | SCHEMBL88894 | 3, 4-dihydro-2H-benzo[b][1, 4]oxazine | DTXSID00342856 | 3, 4-Dihydro-1, 4(2H)-benzoxazine | 3, 4-dihydro-2H-1, 4-benzooxazine | A858662 | 2H-1, 4-Benzoxaz

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488190458
• Sonrisas canónicas: C1COC2=CC=CC=C2N1
• IUPAC Name: 3,4-dihydro-2H-1,4-benzoxazine
• InChIKey: YRLORWPBJZEGBX-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9H,5-6H2
• Isómeros SMILES: C1COC2=CC=CC=C2N1
• Peso molecular: 135.17
• Reaxy-Rn: 3918
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3918&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazines
• Alternative Parents: Benzomorpholines Secondary alkylarylamines Alkyl aryl ethers Benzenoids Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzomorpholine - Benzoxazine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Benzenoid - Oxazinane - Oxacycle - Azacycle - Secondary amine - Ether - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).
• 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

Propiedades químicas y físicas

• Solubilidad: Sparingly soluble in water.(0.26 g/L) (25°C)
• Sensibilidad: air sensitive
• Índice de refracción: 1.60
• Punto de inflamación (°C): 91 °C
• Punto de ebullición (°C): 267 °C
• Peso molecular: 135.160 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 135.068 Da
• Monoisotopic Mass: 135.068 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 10
• 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: 1