5-Bromo-1H-benzotriazole - CAS 32046-62-1
Catalog: |
BB021141 |
Product Name: |
5-Bromo-1H-benzotriazole |
CAS: |
32046-62-1 |
Synonyms: |
5-bromo-2H-benzotriazole; 5-bromo-2H-benzotriazole |
IUPAC Name: | 5-bromo-2H-benzotriazole |
Description: | 5-Bromo-1H-benzotriazole (CAS# 32046-62-1) is a useful research chemical. |
Molecular Weight: | 198.02 |
Molecular Formula: | C6H4BrN3 |
Canonical SMILES: | C1=CC2=NNN=C2C=C1Br |
InChI: | InChI=1S/C6H4BrN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10) |
InChI Key: | BQCIJWPKDPZNHD-UHFFFAOYSA-N |
Boiling Point: | 340.2 °C at 760 mmHg |
Purity: | 96 % |
Density: | 1.894 g/cm3 |
MDL: | MFCD00464510 |
LogP: | 1.72040 |
GHS Hazard Statement: | H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021153122-A1 | Treatment solution and method for treating treatment object | 20200128 |
WO-2021114314-A1 | Novel heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases | 20191214 |
WO-2021115489-A1 | Novel heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases | 20191214 |
WO-2021085074-A1 | Sheet for detecting tracks of charged particles | 20191028 |
CN-111235597-A | Synthesis method of nitroazole energetic compound | 20190926 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.95886 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.95886 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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