3-Bromo-3-buten-1-ol - CAS 76334-36-6
Catalog: |
BB035554 |
Product Name: |
3-Bromo-3-buten-1-ol |
CAS: |
76334-36-6 |
Synonyms: |
3-bromobut-3-en-1-ol |
IUPAC Name: | 3-bromobut-3-en-1-ol |
Description: | 3-Bromo-3-buten-1-ol was found to be component of Illicit alcohol. It was also used to investigate how Methane Monooxygenase Hydroxylase can accommodate larger hydrocarbons. |
Molecular Weight: | 151.00 |
Molecular Formula: | C4H7BrO |
Canonical SMILES: | C=C(CCO)Br |
InChI: | InChI=1S/C4H7BrO/c1-4(5)2-3-6/h6H,1-3H2 |
InChI Key: | RTKMFQOHBDVEBC-UHFFFAOYSA-N |
Boiling Point: | 64-65 °C9 mmHg (lit.) |
Purity: | 95 % |
Density: | 1.522 g/cm3 |
Appearance: | Clear brown liquid, darkening on exposure to light |
MDL: | MFCD00154041 |
LogP: | 1.27740 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020163673-A1 | Inhibitors of adenylate-forming enzyme mene | 20190207 |
US-2020108083-A1 | Boron Containing PDE4 Inhibitors | 20181005 |
WO-2020070651-A1 | Boron containing pde4 inhibitors | 20181005 |
TW-202027755-A | Boron containing pde4 inhibitors | 20181005 |
US-10946031-B2 | PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol | 20181005 |
Complexity: | 51.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.96803 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.96803 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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