6-Bromoindoline hydrochloride - ≥95% , CAS No.1187933-30-7

CAS: 1187933-30-7 Cat. No.: B189953 Formula: C₈H₉BrClN Peso molecolare: 234.52 Numero EC: 692-978-6 PubChem CID: 45789819

GRADE & PURITY ≥95%

Synonyms

6-Bromo-2,3-dihydro-1H-indole hydrochloride, AldrichCPR | VFCCBOIKVPGOJJ-UHFFFAOYSA-N | 6-bromoindoline hydrochloride | 6-Bromo-indoline hydrochloride | EN300-75601 | 6-bromanyl-2,3-dihydro-1H-indole hydrochloride | 6-Bromoindolinehydrochloride | DS-11685

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

6-Bromo-2,3-dihydro-1H-indole hydrochloride, AldrichCPR | VFCCBOIKVPGOJJ-UHFFFAOYSA-N | 6-bromoindoline hydrochloride | 6-Bromo-indoline hydrochloride | EN300-75601 | 6-bromanyl-2,3-dihydro-1H-indole hydrochloride | 6-Bromoindolinehydrochloride | DS-11685

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1CNC2=C1C=CC(=C2)Br.Cl

IUPAC Name

6-bromo-2,3-dihydro-1H-indole;hydrochloride

InChIKey

VFCCBOIKVPGOJJ-UHFFFAOYSA-N

INCHI

1S/C8H8BrN.ClH/c9-7-2-1-6-3-4-10-8(6)5-7;/h1-2,5,10H,3-4H2;1H

Isomeri SMILES

C1CNC2=C1C=CC(=C2)Br.Cl

PubChem CID

45789819

Peso molecolare

234.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Secondary alkylarylamines Aralkylamines Benzenoids Aryl bromides Azacyclic compounds Organobromides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Aryl halide - Aryl bromide - Secondary amine - Azacycle - Hydrochloride - Amine - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 234.520 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 232.961 Da
• Monoisotopic Mass: 232.961 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 126.000
• 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: 2

XLogP3

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1187933-30-7, the molecular formula is C8H9BrClN, and the molecular weight is 234.52 g/mol. InChIKey VFCCBOIKVPGOJJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.