4-Bromo-1H-pyrazole-3-carbonitrile - CAS 288246-16-2
Catalog: |
BB019977 |
Product Name: |
4-Bromo-1H-pyrazole-3-carbonitrile |
CAS: |
288246-16-2 |
Synonyms: |
1H-Pyrazole-3-carbonitrile, 4-bromo-; 4-Bromo-1H-pyrazole-3-carbonitrile; 4-Bromo-3-cyano-1H-pyrazole |
Related CAS: | 916791-70-3 (Deleted CAS)
|
IUPAC Name: | 4-bromo-1H-pyrazole-5-carbonitrile |
Molecular Weight: | 171.98 |
Molecular Formula: | C4H2BrN3 |
Canonical SMILES: | C1=NNC(=C1Br)C#N |
InChI: | InChI=1S/C4H2BrN3/c5-3-2-7-8-4(3)1-6/h2H,(H,7,8) |
InChI Key: | ZXVFKQRZKKGVNJ-UHFFFAOYSA-N |
Boiling Point: | 412.4±30.0°C at 760 mmHg |
Melting Point: | 160°C |
Purity: | ≥95% |
Density: | 2.01±0.1 g/cm3 |
Appearance: | White to Pale Yellow Powder |
Storage: | Store at 2-8°C |
MDL: | MFCD00105683 |
LogP: | 1.04388 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021005034-A1 | New heterocyclic compounds | 20190709 |
WO-2020015744-A1 | Azaindole derivative and use thereof as fgfr and c-met inhibitor | 20180719 |
CN-112469718-A | Azaindole derivatives and their use as FGFR and C-Met inhibitors | 20180719 |
KR-20210035236-A | Azaindole derivatives and their use as FGFR and C-Met inhibitors | 20180719 |
EP-3825314-A1 | Azaindole derivative and use thereof as fgfr and c-met inhibitor | 20180719 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.94321 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.94321 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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Pyrazoles
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