8-Bromo-2-tetralone - CAS 117294-21-0
Catalog: |
BB003919 |
Product Name: |
8-Bromo-2-tetralone |
CAS: |
117294-21-0 |
Synonyms: |
8-bromo-3,4-dihydro-1H-naphthalen-2-one; 8-bromo-3,4-dihydro-1H-naphthalen-2-one |
IUPAC Name: | 8-bromo-3,4-dihydro-1H-naphthalen-2-one |
Description: | 8-Bromo-2-tetralone (CAS# 117294-21-0) is a useful research chemical. |
Molecular Weight: | 225.08 |
Molecular Formula: | C10H9BrO |
Canonical SMILES: | C1CC2=C(CC1=O)C(=CC=C2)Br |
InChI: | InChI=1S/C10H9BrO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-3H,4-6H2 |
InChI Key: | RWEVGLMABSFMKW-UHFFFAOYSA-N |
Boiling Point: | 331 °C at 760 mmHg |
Density: | 1.511 g/cm3 |
MDL: | MFCD03093390 |
LogP: | 2.50690 |
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 |
WO-2021039023-A1 | Method for producing heterocyclidene acetamide derivatives | 20190823 |
JP-6830569-B1 | Method for Producing Heterocyclidene Acetamide Derivative | 20190823 |
JP-WO2021039023-A1 | Method for Producing Heterocyclidene Acetamide Derivative | 20190823 |
CN-113316577-A | GLi1 inhibitors as therapeutic agents | 20181119 |
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Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.98368 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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