7-Bromo-1-heptanol - CAS 10160-24-4
Catalog: |
BB000566 |
Product Name: |
7-Bromo-1-heptanol |
CAS: |
10160-24-4 |
Synonyms: |
7-bromoheptan-1-ol |
IUPAC Name: | 7-bromoheptan-1-ol |
Description: | 7-Bromo-1-heptanol (CAS# 10160-24-4) is a useful synthetic intermediate. It can be used to prepare N-substituted [(carboxymethyl)phenoxy]ethyl benzoxazinones as PPARγ agonists and antidiabetic (type 2) agents. It can also be used to prepare thiochroman and chroman derivatives as pure antiestrogens. |
Molecular Weight: | 195.10 |
Molecular Formula: | C7H15BrO |
Canonical SMILES: | C(CCCO)CCCBr |
InChI: | InChI=1S/C7H15BrO/c8-6-4-2-1-3-5-7-9/h9H,1-7H2 |
InChI Key: | MMXRRNUXCHUHOE-UHFFFAOYSA-N |
Boiling Point: | 111-112 °C (4 mmHg), 231.8 °C at 760 mmHg |
Purity: | > 88.0 % (GC) |
Density: | 1.269 g/cm3 |
Appearance: | Colorless to yellow liquid |
Storage: | Freezer |
MDL: | MFCD00041708 |
LogP: | 2.32410 |
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 |
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PMID | Publication Date | Title | Journal |
11245835 | 20010301 | Sequential substitution of 1,2-dichloro-ethene: a convenient stereoselective route to (9Z,11E)-, (10E,12Z)- and (10Z,12Z)- | Chemistry and physics of lipids |
Complexity: | 48.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.03063 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.03063 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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