3,4-Diamino-5-bromopyridine - CAS 4635-08-9
Catalog: |
BB026121 |
Product Name: |
3,4-Diamino-5-bromopyridine |
CAS: |
4635-08-9 |
Synonyms: |
3,4-Pyridinediamine, 5-bromo-; 5-Bromo-3,4-pyridinediamine; Pyridine, 3,4-diamino-5-bromo-; 3-Bromopyridine-4,5-diamine |
IUPAC Name: | 5-bromopyridine-3,4-diamine |
Molecular Weight: | 188.03 |
Molecular Formula: | C5H6BrN3 |
Canonical SMILES: | C1=C(C(=C(C=N1)Br)N)N |
InChI: | InChI=1S/C5H6BrN3/c6-3-1-9-2-4(7)5(3)8/h1-2H,7H2,(H2,8,9) |
InChI Key: | CMFSWSZEHYPECE-UHFFFAOYSA-N |
Boiling Point: | 370.1±37.0°C at 760 mmHg |
Melting Point: | 121-123°C |
Purity: | 95% |
Density: | 1.818±0.06 g/cm3 |
Appearance: | White to Off-white to Yellow Solid |
Storage: | Store at 2-8°C under inert gas (nitrogen or Argon) |
MDL: | MFCD01692479 |
LogP: | 2.17090 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112592341-A | Organic photoelectric functional material and organic electroluminescent device prepared from same | 20201222 |
JP-2018145180-A | A pharmaceutical comprising a biaryl derivative or a salt thereof | 20170301 |
JP-2019073537-A | Drug comprising a biaryl derivative or a salt thereof | 20170301 |
JP-6469272-B2 | A pharmaceutical comprising a biaryl derivative or a salt thereof | 20170301 |
AU-2016335086-A1 | Quinoxaline and pyridopyrazine derivatives as pI3Kbeta inhibitors | 20151009 |
PMID | Publication Date | Title | Journal |
22199889 | 20111201 | 5-Bromo-N-[(E)-(6-bromo-pyridin-2-yl)methyl-idene]pyridine-3,4-diamine | Acta crystallographica. Section E, Structure reports online |
Complexity: | 98.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.97451 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.97451 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 64.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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