4-Bromo-1,3,5-trimethylpyrazole - CAS 15801-69-1
Catalog: |
BB011383 |
Product Name: |
4-Bromo-1,3,5-trimethylpyrazole |
CAS: |
15801-69-1 |
Synonyms: |
4-bromo-1,3,5-trimethylpyrazole |
IUPAC Name: | 4-bromo-1,3,5-trimethylpyrazole |
Description: | 4-Bromo-1,3,5-trimethylpyrazole (CAS# 15801-69-1) is a compound useful in organic synthesis. |
Molecular Weight: | 189.05 |
Molecular Formula: | C6H9BrN2 |
Canonical SMILES: | CC1=C(C(=NN1C)C)Br |
InChI: | InChI=1S/C6H9BrN2/c1-4-6(7)5(2)9(3)8-4/h1-3H3 |
InChI Key: | UNTQXOJGXGRHMG-UHFFFAOYSA-N |
Boiling Point: | 101-102 °C (15 mmHg) |
Purity: | 98 % |
Density: | 1.5 g/cm3 |
Appearance: | White crystalline solid |
MDL: | MFCD00052532 |
LogP: | 1.79940 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019198024-A1 | 4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication | 20180411 |
EP-3774775-A1 | 4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication | 20180411 |
US-2021024503-A1 | 4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication | 20180411 |
JP-2021521131-A | 4-Oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication | 20180411 |
CN-110234638-A | Heteroaryl phenoxy benzamide KAPPA opiates ligand | 20161128 |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.99491 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.99491 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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