2-Bromo-6-fluorobenzonitrile - CAS 79544-27-7
Catalog: |
BB036373 |
Product Name: |
2-Bromo-6-fluorobenzonitrile |
CAS: |
79544-27-7 |
Synonyms: |
2-bromo-6-fluorobenzonitrile |
IUPAC Name: | 2-bromo-6-fluorobenzonitrile |
Description: | 2-Bromo-6-fluorobenzonitrile (CAS# 79544-27-7) is a useful research chemical. |
Molecular Weight: | 200.01 |
Molecular Formula: | C7H3BrFN |
Canonical SMILES: | C1=CC(=C(C(=C1)Br)C#N)F |
InChI: | InChI=1S/C7H3BrFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H |
InChI Key: | IELGUZKHALDFOO-UHFFFAOYSA-N |
Boiling Point: | 254.6 °C at 760 mmHg |
Melting Point: | 58-62 °C |
Flash Point: | 107.8°C |
Purity: | 95 % |
Density: | 1.69 g/cm3 |
Storage: | Room temperature. |
MDL: | MFCD06797753 |
LogP: | 2.45988 |
Refractive Index: | 1.577 |
GHS Hazard Statement: | H302 (91.11%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111548276-A | Preparation method of 2, 6-dibromoaniline | 20200513 |
WO-2021211974-A1 | Hsd17b13 inhibitors and uses thereof | 20200418 |
WO-2021106231-A1 | A compound having inhibitory activity against kras g12d mutation | 20191129 |
WO-2021107160-A1 | A compound having inhibitory activity against kras g12d mutation | 20191129 |
WO-2021096589-A1 | Small molecules polymerase inhibitors | 20191115 |
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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