6-Bromo-7-methylindole - ≥97% , CAS No.1000343-89-4

CAS: 1000343-89-4 Cat. No.: B469990 Summenformel: C₉H₈BrN Molekulargewicht: 210.07 EG-Nummer: 682-900-9

GRADE & PURITY ≥97%

Synonyms

SCHEMBL3729196 | AS-49430 | FT-0753190 | DTXSID80646682 | SY123449 | A898822 | I10210 | 1H-Indole, 6-bromo-7-methyl- | J-000011 | Z1269148523 | 1000343-89-4 | AKOS016008784 | AMY9855 | 6-Bromo-7-methylindole | MFCD09027015 | 6-Bromo-7-methyl-1H-indole | S

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

SCHEMBL3729196 | AS-49430 | FT-0753190 | DTXSID80646682 | SY123449 | A898822 | I10210 | 1H-Indole, 6-bromo-7-methyl- | J-000011 | Z1269148523 | 1000343-89-4 | AKOS016008784 | AMY9855 | 6-Bromo-7-methylindole | MFCD09027015 | 6-Bromo-7-methyl-1H-indole | S

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

508810168

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810168

Kanonisches Lächeln

CC1=C(C=CC2=C1NC=C2)Br

IUPAC Name

6-bromo-7-methyl-1H-indole

InChIKey

KQNXKBLDFQVFQD-UHFFFAOYSA-N

INCHI

1S/C9H8BrN/c1-6-8(10)3-2-7-4-5-11-9(6)7/h2-5,11H,1H3

Isomere SMILES

CC1=C(C=CC2=C1NC=C2)Br

Alternative CAS-Nummer

1000343-89-4

Molekulargewicht

210.07

Reaxy-Rn

27968019

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27968019&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Benzenoids Aryl bromides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 210.070 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 208.984 Da
• Monoisotopic Mass: 208.984 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 148.000
• 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