5-Bromo-1H-benzimidazole - CAS 4887-88-1
Catalog: |
BB026610 |
Product Name: |
5-Bromo-1H-benzimidazole |
CAS: |
4887-88-1 |
Synonyms: |
6-bromo-1H-benzimidazole; 6-bromo-1H-benzimidazole |
IUPAC Name: | 6-bromo-1H-benzimidazole |
Description: | 5-Bromo-1H-benzimidazole (CAS# 4887-88-1) is a useful research chemical. |
Molecular Weight: | 197.03 |
Molecular Formula: | C7H5BrN2 |
Canonical SMILES: | C1=CC2=C(C=C1Br)NC=N2 |
InChI: | InChI=1S/C7H5BrN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10) |
InChI Key: | GEDVWGDBMPJNEV-UHFFFAOYSA-N |
Boiling Point: | 417.4 °C at 760 mmHg |
Density: | 1.77 g/cm3 |
MDL: | MFCD00160001 |
LogP: | 2.32540 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112939829-A | Synthetic method of aryl trifluoromethyl thioether | 20210304 |
JP-2021111574-A | Metal-air battery | 20200115 |
JP-2021047305-A | Low-dielectric photosensitive resin composition and its cured product | 20190919 |
WO-2021055591-A1 | Substituted benzimidazole carboxamides and their use in the treatment of medical disorders | 20190917 |
WO-2021015417-A1 | Organic electroluminescent compounds and organic electroluminescent device | 20190723 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.96361 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.96361 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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