3-Bromo-1-methyl-1H-1,2,4-triazole - CAS 56616-91-2
Catalog: |
BB029425 |
Product Name: |
3-Bromo-1-methyl-1H-1,2,4-triazole |
CAS: |
56616-91-2 |
Synonyms: |
3-bromo-1-methyl-1,2,4-triazole |
IUPAC Name: | 3-bromo-1-methyl-1,2,4-triazole |
Description: | 3-Bromo-1-methyl-1H-1,2,4-triazole (CAS# 56616-91-2) is a useful intermediate used in the preparation of substituted triazoles. |
Molecular Weight: | 161.99 |
Molecular Formula: | C3H4BrN3 |
Canonical SMILES: | CN1C=NC(=N1)Br |
InChI: | InChI=1S/C3H4BrN3/c1-7-2-5-3(4)6-7/h2H,1H3 |
InChI Key: | KWGLUDZPAMFWJZ-UHFFFAOYSA-N |
Boiling Point: | 255.9 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.93 g/cm3 |
MDL: | MFCD11109755 |
LogP: | 0.57760 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021211741-A1 | Substituted pyridines for the treatment of inflammatory diseases | 20200414 |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
WO-2021170797-A1 | PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS | 20200226 |
WO-2021160109-A1 | Dihydronaphthyridinone compound, and preparation method therefor and medical use thereof | 20200213 |
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: | 0.2 |
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