5-Bromoindole - ≥98% , CAS No.10075-50-0

CAS: 10075-50-0 Cat. No.: B111473 Molecular Weight: 196.04 Beilstein Registry Number: 112877 EC Number: 233-208-7

GRADE & PURITY ≥98%

Synonyms

5-Bromoindole, 99% | R8FGF42R4A | F8881-6102 | B-8424 | BCP26677 | H4N | SB40564 | HY-30236 | 1H-Indole, 5-bromo- | 5-bromo indole | MFCD00005670 | STK249656 | BDBM50358747 | SY005268 | FT-0620160 | BBL013012 | FT-0620159 | BIDD:GT0232 | AB00482 | DTXSID6

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

5-Bromoindole, 99% | R8FGF42R4A | F8881-6102 | B-8424 | BCP26677 | H4N | SB40564 | HY-30236 | 1H-Indole, 5-bromo- | 5-bromo indole | MFCD00005670 | STK249656 | BDBM50358747 | SY005268 | FT-0620160 | BBL013012 | FT-0620159 | BIDD:GT0232 | AB00482 | DTXSID6

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753278
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753278
• Canonical Smiles: C1=CC2=C(C=CN2)C=C1Br
• IUPAC Name: 5-bromo-1H-indole
• InChIKey: VXWVFZFZYXOBTA-UHFFFAOYSA-N
• INCHI: 1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
• Isomeric SMILES: C1=CC2=C(C=CN2)C=C1Br
• WGK Germany: 3
• Molecular Weight: 196.04
• Beilstein: 112877
• Reaxy-Rn: 112877
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112877&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Benzenoids Aryl bromides Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen 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 - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: 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

Associated Targets(Human)

CSNK2A1 Tchem Casein kinase II alpha (3512 Activities)

Discover Target: CSNK2A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR4A2 Tchem Nuclear receptor subfamily 4 group A member 2 (460 Activities)

Discover Target: NR4A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK5 Tchem Cyclin-dependent kinase 5/CDK5 activator 1 (3697 Activities)

Discover Target: CDK5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive ;light sensitive
• Melt Point(°C): 90-92°C
• Molecular Weight: 196.040 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 194.968 Da
• Monoisotopic Mass: 194.968 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 10
• 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: 1

References

1. Kang Feng, Haoyi Qiu, Anna Gapeeva, Xia Li, Yan Li, Sören Kaps, Yogendra Kumar Mishra, Rainer Adelung, Martina Baum, Liangmin Yu.  (2023)  Indole-functionalized polythiourethane/tetrapodal shaped ZnO nanocomposites for eco-friendly marine biofouling control.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2023.107939]

2. Kang Feng, Xia Li, Liangmin Yu.  (2018)  Synthesis, antibacterial activity, and application in the antifouling marine coatings of novel acylamino compounds containing gramine groups.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2017.10.027]

3. Ben Dong, Baoyan Li, Yi Cao, Xinlei Meng, Han Yan, Shusheng Ge, Yun Lu.  (2016)  Conjugated oligomers with thiophene and indole moieties: Synthesis, photoluminescence and electrochromic performances.  TETRAHEDRON LETTERS,      [PMID:] [10.1016/j.tetlet.2016.11.090]

4. Kang Feng, Chunhua Ni, Liangmin Yu, Wenjun Zhou, Xia Li.  (2019)  Synthesis and antifouling evaluation of indole derivatives.  ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY,      [PMID:31325810] [10.1016/j.ecoenv.2019.109423]

5. Xue Yafei, Bi Yongchang, Wang Jingjun, Zhu Guangyuan, Chen Mingyue, Bian Xingyu, Zhang Yumin, Gu Qiang.  (2025)  Effective synthesis and anti-mycobacteriuml activity of isoxazole-substituted pyrrolopyrimidine and isoxazole-substituted indole derivatives.  Journal of the Iranian Chemical Society,      [PMID:] [10.1007/s13738-025-03196-x]