5-Bromoindole

HCID 24905CAS 10075-50-0
Substructure searchFind similar structures

Basic information

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 properties

XLogP
3
Topological polar surface area
15.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
10

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)

Safety & regulation

GHS classification

GHS Classification · 5 items

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

Chemistry & industry

Applications

UsesA potential inhibitor of GSK-3

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
衢州信诺医药科技有限公司0570-3856196 13615701454 · [email protected]

Related reactions

313 records
New reaction record

Linked notes

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