7-Bromoindole - CAS 51417-51-7
Catalog: |
BB027430 |
Product Name: |
7-Bromoindole |
CAS: |
51417-51-7 |
Synonyms: |
7-bromo-1H-indole |
IUPAC Name: | 7-bromo-1H-indole |
Description: | 7-Bromoindole (CAS# 51417-51-7) is a useful research chemical. |
Molecular Weight: | 196.04 |
Molecular Formula: | C8H6BrN |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)NC=C2 |
InChI: | InChI=1S/C8H6BrN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H |
InChI Key: | RDSVSEFWZUWZHW-UHFFFAOYSA-N |
Boiling Point: | 85-86 °C / 0.2 mmHg |
Purity: | 98 % |
Density: | 1.66 g/cm3 |
MDL: | MFCD00799492 |
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 |
KR-102175379-B1 | Light-emitting material for organic electroluminescent device, organic electroluminescent device using same, and material for organic electroluminescent device | 20200826 |
CN-111808010-A | Preparation method of 7-phenylindole compound | 20200611 |
CN-111303001-A | Synthesis method of indole mono-substituted 2-hydroxy-3- (1H-indol-3-yl) propionic acid compound | 20200410 |
CN-111233742-A | Drug-resistant bacterium resisting compound and preparation method and application thereof | 20200330 |
CN-111253300-A | Bisindole compound and preparation method and application thereof | 20200330 |
PMID | Publication Date | Title | Journal |
16839172 | 20060721 | Comparative study of the Kumada, Negishi, Stille, and Suzuki-Miyaura reactions in the synthesis of the indole alkaloids hippadine and pratosine | The Journal of organic chemistry |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
14703337 | 20040108 | Palladium-catalyzed carbonylation of haloindoles: no need for protecting groups | Organic letters |
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: | 3.5 |
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