5-Bromo-2-methoxy-4-methylpyridine - CAS 164513-39-7
Catalog: |
BB012114 |
Product Name: |
5-Bromo-2-methoxy-4-methylpyridine |
CAS: |
164513-39-7 |
Synonyms: |
5-bromo-2-methoxy-4-methylpyridine |
IUPAC Name: | 5-bromo-2-methoxy-4-methylpyridine |
Description: | 5-Bromo-2-methoxy-4-methylpyridine (CAS# 164513-39-7) is a compound useful in organic synthesis. |
Molecular Weight: | 202.05 |
Molecular Formula: | C7H8BrNO |
Canonical SMILES: | CC1=CC(=NC=C1Br)OC |
InChI: | InChI=1S/C7H8BrNO/c1-5-3-7(10-2)9-4-6(5)8/h3-4H,1-2H3 |
InChI Key: | HTBPXLJKMNBQMS-UHFFFAOYSA-N |
Boiling Point: | 229.6 °C at 760 mmHg |
Melting Point: | 33-37 °C (lit.) |
Purity: | 97 % |
Density: | 1.452 g/cm3 |
Appearance: | Beige moist crystals |
MDL: | MFCD04039980 |
LogP: | 2.16110 |
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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Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.97893 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.97893 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Pyridines
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