5-Bromo-2-(methylsulphonyl)pyrimidine - CAS 38275-48-8
Catalog: |
BB046781 |
Product Name: |
5-Bromo-2-(methylsulphonyl)pyrimidine |
CAS: |
38275-48-8 |
Synonyms: |
5-bromo-2-(methylsulfonyl)pyrimidine; Pyrimidine, 5-bromo-2-(methylsulfonyl)-; NSC262216 |
IUPAC Name: | 5-bromo-2-methylsulfonylpyrimidine |
Description: | 5-Bromo-2-(methylsulphonyl)pyrimidine (CAS# 38275-48-8 ) is a useful research chemical. |
Molecular Weight: | 237.08 |
Molecular Formula: | C5H5BrN2O2S |
Canonical SMILES: | CS(=O)(=O)C1=NC=C(C=N1)Br |
InChI: | InChI=1S/C5H5BrN2O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,1H3 |
InChI Key: | MVIRMXABVKJKAR-UHFFFAOYSA-N |
Boiling Point: | 393.7±34.0 °C (Predicted) |
Melting Point: | 130-133 °C |
Purity: | 95 % |
Density: | 1.771±0.06 g/cm3 (Predicted) |
MDL: | MFCD00508247 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.92551 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.92551 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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