4-Bromo-1-isopropyl-1H-pyrazole - CAS 313735-62-5
Catalog: |
BB020901 |
Product Name: |
4-Bromo-1-isopropyl-1H-pyrazole |
CAS: |
313735-62-5 |
Synonyms: |
4-bromo-1-propan-2-ylpyrazole; 4-bromo-1-propan-2-ylpyrazole |
IUPAC Name: | 4-bromo-1-propan-2-ylpyrazole |
Description: | 4-Bromo-1-isopropyl-1H-pyrazole (CAS# 313735-62-5) is a useful research chemical. |
Molecular Weight: | 189.05 |
Molecular Formula: | C6H9BrN2 |
Canonical SMILES: | CC(C)N1C=C(C=N1)Br |
InChI: | InChI=1S/C6H9BrN2/c1-5(2)9-4-6(7)3-8-9/h3-5H,1-2H3 |
InChI Key: | HYWPFIXULAMLRZ-UHFFFAOYSA-N |
Boiling Point: | 213.539 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.492 g/cm3; |
LogP: | 2.22650 |
GHS Hazard Statement: | H302 (92.68%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-211497433-U | Production device of 4-bromopyrazole | 20200121 |
WO-2021068816-A1 | Alkene-containing amide compound and use thereof | 20191008 |
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EP-3867259-A1 | Azithromycin derivatives containing a phosphonium ion as anticancer agents | 20181019 |
CN-110818683-A | 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof | 20180810 |
Complexity: | 95.1 |
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: | 1 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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