6-Bromoindole - CAS 52415-29-9
Catalog: |
BB027820 |
Product Name: |
6-Bromoindole |
CAS: |
52415-29-9 |
Synonyms: |
6-bromo-1H-indole |
IUPAC Name: | 6-bromo-1H-indole |
Description: | 6-Bromoindole (CAS# 52415-29-9) is a starting material in the synthesis of various indole derivatives. |
Molecular Weight: | 196.04 |
Molecular Formula: | C8H6BrN |
Canonical SMILES: | C1=CC(=CC2=C1C=CN2)Br |
InChI: | InChI=1S/C8H6BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H |
InChI Key: | MAWGHOPSCKCTPA-UHFFFAOYSA-N |
Boiling Point: | 316.9 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.66 g/cm3 |
MDL: | MFCD00238550 |
LogP: | 2.93040 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113024437-A | Preparation method of 4', 6-diamidino-2-phenylindole dihydrochloride | 20210319 |
CN-112979648-A | Synthesis method of gamma-carboline derivative | 20210316 |
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PMID | Publication Date | Title | Journal |
22728350 | 20120530 | Asymmetric synthesis of the carbon-14-labeled selective glucocorticoid receptor modulator using cinchona alkaloid catalyzed addition of 6-bromoindole to ethyl trifluoropyruvate | Molecules (Basel, Switzerland) |
20446668 | 20100604 | Synthesis of (+/-)-eusynstyelamide A | Organic letters |
20559487 | 20100428 | Halogenated indole alkaloids from marine invertebrates | Marine drugs |
19140074 | 20090101 | Iotrochotamides I and II: new ceramides from the Indonesian sponge Iotrochota purpurea | Natural product research |
18463722 | 20070625 | Monoindole alkaloids from a marine sponge Spongosorites sp | Marine drugs |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.96836 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.96836 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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