3-Bromotetrahydropyran-4-one - CAS 98021-79-5
Catalog: |
BB042092 |
Product Name: |
3-Bromotetrahydropyran-4-one |
CAS: |
98021-79-5 |
Synonyms: |
3-bromo-4-oxanone; 3-bromooxan-4-one |
IUPAC Name: | 3-bromooxan-4-one |
Description: | 3-Bromotetrahydropyran-4-one (CAS# 98021-79-5) is a useful research chemical. |
Molecular Weight: | 179.01 |
Molecular Formula: | C5H7BrO2 |
Canonical SMILES: | C1COCC(C1=O)Br |
InChI: | InChI=1S/C5H7BrO2/c6-4-3-8-2-1-5(4)7/h4H,1-3H2 |
InChI Key: | ZGULSQDBOSMIBZ-UHFFFAOYSA-N |
Boiling Point: | 226.451 ℃ at 760 mmHg |
Density: | 1.652 g/cm3 |
Appearance: | Solid |
Storage: | Keep in dark place, Inert atmosphere, Store in freezer, under -20 ℃ |
MDL: | MFCD13193743 |
LogP: | 0.73930 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020114499-A1 | Tyrosine kinase inhibitors, compositions and methods there of | 20181207 |
TW-202033526-A | Compounds used as tyrosine kinase inhibitors, pharmaceutical compositions containing them, and uses thereof | 20181207 |
CN-113166156-A | Tyrosine kinase inhibitors, compositions and methods thereof | 20181207 |
EP-3891152-A1 | Tyrosine kinase inhibitors, compositions and methods there of | 20181207 |
CN-108546266-B | Synthesis method of 1,4,6, 7-tetrahydropyrane [4,3-C ] pyrazole-3-carboxylic acid | 20180725 |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.96294 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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