3-Bromo-2-naphthol - ≥96%(GC) , CAS No.30478-88-7

CAS: 30478-88-7 Cat. No.: B152849 Formule: C₁₀H₇BrO Poids moléculaire: 223.07 Beilstein Registry Number: 6(4)4302 Numéro CE: 626-985-2

GRADE & PURITY ≥96%(GC)

Synonyms

T70735 | 3-Bromo-2-naphthol | Brom-beta-naphtol [German] | PQVIOPAWVAOHOA-UHFFFAOYSA-N | 2-Naphthalenol, 3-bromo- | 3-Brom-2-oxy-naphthalin | AKOS005259239 | Bromo-beta-naphthol | EN300-244700 | 3-bromonaphthalen-2-ol | SY055576 | 2-Naphthalenol,3-bromo-

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

T70735 | 3-Bromo-2-naphthol | Brom-beta-naphtol [German] | PQVIOPAWVAOHOA-UHFFFAOYSA-N | 2-Naphthalenol, 3-bromo- | 3-Brom-2-oxy-naphthalin | AKOS005259239 | Bromo-beta-naphthol | EN300-244700 | 3-bromonaphthalen-2-ol | SY055576 | 2-Naphthalenol,3-bromo-

Spécifications et pureté

≥96%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥96%(GC)

Noms et identifiants

Pubchem Sid

508808964

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808964

Sourires canoniques

C1=CC=C2C=C(C(=CC2=C1)O)Br

IUPAC Name

3-bromonaphthalen-2-ol

InChIKey

PQVIOPAWVAOHOA-UHFFFAOYSA-N

INCHI

1S/C10H7BrO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,12H

Isomères SMILES

C1=CC=C2C=C(C(=CC2=C1)O)Br

WGK Allemagne

3

Poids moléculaire

223.07

Beilstein

6(4)4302

Reaxy-Rn

2081478

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2081478&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: O-bromophenols 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Aryl bromide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring 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: Moisture sensitive,light sensitive
• Point de fusion (°C): 82 °C
• Poids moléculaire: 223.070 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 221.968 Da
• Monoisotopic Mass: 221.968 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• 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