5-Bromo-4-methylpyrimidine - CAS 1439-09-4
Catalog: |
BB009689 |
Product Name: |
5-Bromo-4-methylpyrimidine |
CAS: |
1439-09-4 |
Synonyms: |
5-bromo-4-methylpyrimidine; 5-bromo-4-methylpyrimidine |
IUPAC Name: | 5-bromo-4-methylpyrimidine |
Description: | 5-Bromo-4-methylpyrimidine (CAS# 1439-09-4) is a useful research chemical. |
Molecular Weight: | 173.01 |
Molecular Formula: | C5H5BrN2 |
Canonical SMILES: | CC1=NC=NC=C1Br |
InChI: | InChI=1S/C5H5BrN2/c1-4-5(6)2-7-3-8-4/h2-3H,1H3 |
InChI Key: | ALRPHTZYJPXPGN-UHFFFAOYSA-N |
Boiling Point: | 221.339 ℃ at 760 mmHg |
Density: | 1.597 g/cm3 |
MDL: | MFCD10000597 |
LogP: | 1.54750 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021099527-A1 | Pyrrolidine derivatives | 20191122 |
US-2021107889-A1 | 2-azaspiro[3.4]octane derivatives as m4 agonists | 20191009 |
WO-2021070090-A1 | 2-azaspiro[3.4]octane derivatives as m4 agonists | 20191009 |
US-2020360353-A1 | Macrocyclic azolopyridine derivatives as eed and prc2 modulators | 20190315 |
WO-2020190754-A1 | Macrocyclic azolopyridine derivatives as eed and prc2 modulators | 20190315 |
PMID | Publication Date | Title | Journal |
20421948 | 20100422 | Novel riboswitch ligand analogs as selective inhibitors of guanine-related metabolic pathways | PLoS pathogens |
Complexity: | 76.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.96361 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.96361 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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