5-Bromo-4-chloro-3-indolyl acetate - ≥99%, esterase substrate , CAS No.3252-36-6

CAS: 3252-36-6 Cat. No.: B123215 Peso molecular: 288.53

GRADE & PURITY ≥99%, esterase substrate

Synonyms

1H-Indol-3-ol,5-bromo-4-chloro-,3-acetate | 5-Bromo-4-chloro-3-indolyl acetate | TD8107 | SY021723 | SCHEMBL154466 | (5-bromo-4-chloro-1H-indol-3-yl) acetate | 3-Acetoxy-4-chloro-5-bromoindole | B-6244 | B4830 | HY-52112 | 1H-Indol-3-ol, 5-bromo-4-chloro-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

A histochemical substrate for esterase.

Specifications

Sinónimos

1H-Indol-3-ol, 5-bromo-4-chloro-, 3-acetate | 5-Bromo-4-chloro-3-indolyl acetate | TD8107 | SY021723 | SCHEMBL154466 | (5-bromo-4-chloro-1H-indol-3-yl) acetate | 3-Acetoxy-4-chloro-5-bromoindole | B-6244 | B4830 | HY-52112 | 1H-Indol-3-ol, 5-bromo-4-chloro-

Especificaciones y pureza

≥99%, esterase substrate

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)OC1=CNC2=C1C(=C(C=C2)Br)Cl
• IUPAC Name: (5-bromo-4-chloro-1H-indol-3-yl) acetate
• InChIKey: WPWLFFMSSOAORQ-UHFFFAOYSA-N
• INCHI: 1S/C10H7BrClNO2/c1-5(14)15-8-4-13-7-3-2-6(11)10(12)9(7)8/h2-4,13H,1H3
• Isómeros SMILES: CC(=O)OC1=CNC2=C1C(=C(C=C2)Br)Cl
• WGK Alemania: 3
• Peso molecular: 288.53
• Reaxy-Rn: 199004
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=199004&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Substituted pyrroles Benzenoids Aryl chlorides Aryl bromides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Aryl bromide - Aryl chloride - Aryl halide - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

• Sensibilidad: Air & Light & Heat sensitive
• Punto de fusión (°C): 107 °C(dec.)
• Peso molecular: 288.520 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 286.935 Da
• Monoisotopic Mass: 286.935 Da
• Topological Polar Surface Area: 42.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 264.000
• 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