4-Bromo-1-methyl-1,2,3-triazole - CAS 13273-53-5
Catalog: |
BB007626 |
Product Name: |
4-Bromo-1-methyl-1,2,3-triazole |
CAS: |
13273-53-5 |
Synonyms: |
4-bromo-1-methyltriazole; 4-bromo-1-methyltriazole |
IUPAC Name: | 4-bromo-1-methyltriazole |
Description: | 4-Bromo-1-methyl-1,2,3-triazole (CAS# 13273-53-5) is a useful research chemical. |
Molecular Weight: | 161.99 |
Molecular Formula: | C3H4BrN3 |
Canonical SMILES: | CN1C=C(N=N1)Br |
InChI: | InChI=1S/C3H4BrN3/c1-7-2-3(4)5-6-7/h2H,1H3 |
InChI Key: | RQZZFHDFPSNDKV-UHFFFAOYSA-N |
Boiling Point: | 227.32 °C at 760 mmHg |
Density: | 1.934 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
LogP: | 0.57760 |
GHS Hazard Statement: | H302 (50%): 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 |
WO-2021204923-A1 | Antiviral agents | 20200409 |
WO-2021204924-A1 | Compounds for use in the treatment of hypercytokinemia | 20200409 |
WO-2021136429-A1 | Benzopyrazole compound | 20191231 |
US-2021047294-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 20190814 |
WO-2021030537-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 20190814 |
Complexity: | 67.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.95886 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.95886 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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