5-Bromoindole
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Basic information
- CAS
10075-50-0- Standard SMILES
Brc1ccc2[nH]ccc2c1- InChIKey
VXWVFZFZYXOBTA-UHFFFAOYSA-N- Molecular formula
- C8H6BrN
- Average molar mass
- 196.04 g/mol
- Monoisotopic mass
- 194.96836129
Overview
5-bromoindole is a bromoindole.
Names & identifiers
- Preferred name
- 5-Bromoindole
- IUPAC
- 5-bromo-1H-indole
- English name
- 5-Bromoindole
- Molecular formula
- C8H6BrN
- Molecular weight
- 196.04
Names & synonyms
5-BROMOINDOLE10075-50-05-Bromo-1H-indole1H-Indole, 5-bromo-5-bromo-indoleR8FGF42R4AEINECS 233-208-7NSC 75581NSC-75581DTXSID6073996RefChem:5340581H-Indole, 5-bromo-(9CI)
Show more names
5-BISW-43SWF-43B2310G255-Bromindole5-bromonindoleBromoindole-99%5-Bromide indole
DTXCID7032557233-208-75-bromo indoleMFCD000056705-bromanyl-1~{H}-indoleCHEMBL325917220310-64-55bromoindole
Database identifiers
- CAS
10075-50-0- PubChem CID
- 24905
- DTXSID
DTXSID6073996- ChEMBL
CHEMBL325917- ChEBI
CHEBI:232364- UNII
- R8FGF42R4A
- EC Number
- 233-208-7
- Nikkaji
- J255K
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 90 · 90-92 °C (lit.)
- Boiling point
- 228.5 °C · 228.5°C (rough estimate)
- Density
- 1.5466 · 1.5466 (rough estimate)
- refractive index
- 1.655 · 1.6550 (estimate)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- solubility
- 126 mg/l · 126mg/l (calculated)
- form
- Powder or Chunks
- pka
- 16.04 · 16.04±0.30(Predicted)
- color
- White to light brown
- BRN
- 112877 · 112877
- InChI
- InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
- InChIKey
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 13.6% (8 of 59) of reports.
Warning
H315 (86.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 59 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 25-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23422
Hazard Classes and CategoriesSkin Irrit. 2 (86.4%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-24/25-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
Chemistry & industry
Applications
UsesA potential inhibitor of GSK-3
Upstream & downstream products
Downstream products
Related reactions
313 records
Compound notes
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