7-Brom-3-hydroxy-2-naphthoesäure - ≥98%(HPLC),≥98%(AT) , CAS No.1779-11-9

CAS: 1779-11-9 Cat. No.: B135565 Summenformel: C₁₁H₇BrO₃ Molekulargewicht: 267.08 Beilstein Registry Number: 10(4)1192 EG-Nummer: 678-250-0

QUALITÄT & REINHEIT ≥98%(HPLC),≥98%(AT)

Synonyms

5-Chloro-2-nitrobenzoicacid | 7-bromo-3-hydroxy-naphthalene-2-carboxylic acid, AldrichCPR | SY050712 | 7-Bromo-3-hydroxy-2-naphthoic acid, >=98.0% (HPLC), 98.0-102.0 wt. % (AT) | BCP26749 | BDBM50421645 | FT-0651463 | DTXSID9061960 | 6-bromo-2-hydroxy-3-n

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Spezifikationen

Synonyme

5-Chloro-2-nitrobenzoicacid | 7-bromo-3-hydroxy-naphthalene-2-carboxylic acid, AldrichCPR | SY050712 | 7-Bromo-3-hydroxy-2-naphthoic acid, >=98.0% (HPLC), 98.0-102.0 wt. % (AT) | BCP26749 | BDBM50421645 | FT-0651463 | DTXSID9061960 | 6-bromo-2-hydroxy-3-n

Spezifikationen & Reinheit

≥98%(HPLC),≥98%(AT)

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥98%(HPLC),≥98%(AT)

Namen und Kennungen

Pubchem Sid

504754819

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754819

Kanonisches Lächeln

C1=CC(=CC2=CC(=C(C=C21)O)C(=O)O)Br

IUPAC Name

7-bromo-3-hydroxynaphthalene-2-carboxylic acid

InChIKey

XZWXQSGFZHRDNB-UHFFFAOYSA-N

INCHI

1S/C11H7BrO3/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,13H,(H,14,15)

Isomere SMILES

C1=CC(=CC2=CC(=C(C=C21)O)C(=O)O)Br

Molekulargewicht

267.08

Beilstein

10(4)1192

Reaxy-Rn

2372925

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2372925&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids
• Alternative Parents: Naphthols and derivatives Salicylic acid and derivatives 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - 2-naphthol - Hydroxybenzoic acid - Salicylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Aryl bromide - Aryl halide - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 262°C(lit.)
• Molekulargewicht: 267.070 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 265.958 Da
• Monoisotopic Mass: 265.958 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 256.000
• 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