2-Bromo-3-fluorobenzonitrile - CAS 425379-16-4
Catalog: |
BB025154 |
Product Name: |
2-Bromo-3-fluorobenzonitrile |
CAS: |
425379-16-4 |
Synonyms: |
2-bromo-3-fluorobenzonitrile; 2-bromo-3-fluorobenzonitrile |
IUPAC Name: | 2-bromo-3-fluorobenzonitrile |
Description: | 2-Bromo-3-fluorobenzonitrile (CAS# 425379-16-4) is a useful research chemical. |
Molecular Weight: | 200.01 |
Molecular Formula: | C7H3BrFN |
Canonical SMILES: | C1=CC(=C(C(=C1)F)Br)C#N |
InChI: | InChI=1S/C7H3BrFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H |
InChI Key: | DBECKESJFGWYFN-UHFFFAOYSA-N |
Boiling Point: | 252.8 ℃ at 760 mmHg |
Density: | 1.69 g/cm3 |
MDL: | MFCD07368773 |
LogP: | 2.45988 |
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 |
US-2021299100-A1 | Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors | 20200316 |
WO-2021186324-A1 | Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors | 20200316 |
US-2021047294-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 20190814 |
WO-2021030537-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 20190814 |
CN-110467629-A | Quinone derivatives, its pharmaceutical composition and application | 20180509 |
PMID | Publication Date | Title | Journal |
14725476 | 20040123 | Facile synthesis of 2-bromo-3-fluorobenzonitrile: an application and study of the halodeboronation of aryl boronic acids | The Journal of organic chemistry |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.94329 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.94329 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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