5-Bromoindoline - CAS 22190-33-6
Catalog: |
BB017443 |
Product Name: |
5-Bromoindoline |
CAS: |
22190-33-6 |
Synonyms: |
5-bromo-2,3-dihydro-1H-indole |
IUPAC Name: | 5-bromo-2,3-dihydro-1H-indole |
Description: | 5-Bromoindoline (CAS# 22190-33-6) is a brominated indoline derivative and a product of biocatalyzed halogenation of nucleobase analogs. 5-Bromoindoline is used in the synthetic preparation of biologically active compounds such as selective human β3 adrenergic receptor agonists. |
Molecular Weight: | 198.06 |
Molecular Formula: | C8H8BrN |
Canonical SMILES: | C1CNC2=C1C=C(C=C2)Br |
InChI: | InChI=1S/C8H8BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2 |
InChI Key: | QEDCHCLHHGGYBT-UHFFFAOYSA-N |
Boiling Point: | 114-115 ℃ / 5 mmHg |
Melting Point: | 36-40 ℃ |
Purity: | 98 % |
Density: | 1.514 g/cm3 |
Appearance: | White to brown low melting solid |
MDL: | MFCD00027410 |
LogP: | 2.55510 |
GHS Hazard Statement: | H302 (13.04%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113149886-A | Synthesis method of silodosin | 20210330 |
CN-111732528-A | A kind ofNProcess for preparing (E) -arylindoline derivatives | 20200731 |
CN-111732528-B | Preparation method of N-aryl indoline derivative | 20200731 |
WO-2021195346-A1 | Lipoxygenase inhibitors | 20200325 |
WO-2021120890-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 20191220 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.98401 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.98401 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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Indolines
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