3-bromo-5-hydroxymethylisoxazole - CAS 25742-00-1
Catalog: |
BB019020 |
Product Name: |
3-bromo-5-hydroxymethylisoxazole |
CAS: |
25742-00-1 |
Synonyms: |
(3-bromo-5-isoxazolyl)methanol; (3-bromo-1,2-oxazol-5-yl)methanol |
IUPAC Name: | (3-bromo-1,2-oxazol-5-yl)methanol |
Description: | 3-bromo-5-hydroxymethylisoxazole (CAS# 25742-00-1) is a useful research chemical. |
Molecular Weight: | 177.98 |
Molecular Formula: | C4H4BrNO2 |
Canonical SMILES: | C1=C(ON=C1Br)CO |
InChI: | InChI=1S/C4H4BrNO2/c5-4-1-3(2-7)8-6-4/h1,7H,2H2 |
InChI Key: | IPMKBMJCEWOFOB-UHFFFAOYSA-N |
Boiling Point: | 316.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.864 g/cm3 |
MDL: | MFCD04035586 |
LogP: | 0.92940 |
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 |
JP-2010077090-A | Isoxazole derivative and method for producing the same, and fungicide | 20080926 |
US-2010093724-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | 20080926 |
US-2011086846-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | 20080926 |
US-2012035370-A1 | Azaindazole Compounds As CCR1 Receptor Antagonists | 20080926 |
US-2012136158-A1 | Pyridinyl Compounds Useful As Intermediates | 20080926 |
Complexity: | 80.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.94254 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.94254 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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