4-Aminophenol-d₇ - ≥98%(CP),≥98 atom% D , CAS No.285132-88-9

CAS: 285132-88-9 Cat. No.: A471985 Formule: D₂NC₆D₄OD Poids moléculaire: 116.17 Numéro CE: 693-199-4

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

SCHEMBL3360386 | 4-(~2~H_2_)Amino(O-~2~H_5_)phenol | 4-Aminophenol-d7, analytical standard | 4-Aminophenol-d7 | 4-(Amino-d2)phen-2,3,5,6-d4-ol | DTXSID10584008 | N,N,2,3,5,6-hexadeuterio-4-deuteriooxyaniline | D98847 | 4-Aminophenol-d7, 98 atom % D | J-01

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonymes

SCHEMBL3360386 | 4-(~2~H_2_)Amino(O-~2~H_5_)phenol | 4-Aminophenol-d7, analytical standard | 4-Aminophenol-d7 | 4-(Amino-d2)phen-2,3,5,6-d4-ol | DTXSID10584008 | N,N,2,3,5,6-hexadeuterio-4-deuteriooxyaniline | D98847 | 4-Aminophenol-d7, 98 atom % D | J-01

Spécifications et pureté

≥98%(CP),≥98 atom% D

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(CP),≥98 atom% D

Noms et identifiants

Sourires canoniques

C1=CC(=CC=C1N)O

IUPAC Name

N,N,2,3,5,6-hexadeuterio-4-deuteriooxyaniline

InChIKey

PLIKAWJENQZMHA-ZZLZVNDKSA-N

INCHI

1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2/i1D,2D,3D,4D/hD3

Isomères SMILES

[2H]C1=C(C(=C(C(=C1N([2H])[2H])[2H])[2H])O[2H])[2H]

CAS alternatif

123-30-8 (Unlabeled)

Numéro ONU

2512

Poids moléculaire

116.17

Reaxy-Rn

385836

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385836&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Benzene and substituted derivatives Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• 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 sensitive
• Point d'éclair (°F): 383.0 °F - closed cup
• Point d'éclair (°C): 195 °C - closed cup
• Point de fusion (°C): 188-190℃ (lit.)
• Poids moléculaire: 116.170 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.097 Da
• Monoisotopic Mass: 116.097 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 66.900
• Isotope Atom Count: 7
• 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