3-Chloro-5-fluorobenzonitrile - CAS 327056-73-5
Catalog: |
BB021374 |
Product Name: |
3-Chloro-5-fluorobenzonitrile |
CAS: |
327056-73-5 |
Synonyms: |
3-chloro-5-fluorobenzonitrile |
IUPAC Name: | 3-chloro-5-fluorobenzonitrile |
Description: | 3-Chloro-5-fluorobenzonitrile (CAS# 327056-73-5) is a useful research chemical. |
Molecular Weight: | 155.56 |
Molecular Formula: | C7H3ClFN |
Canonical SMILES: | C1=C(C=C(C=C1F)Cl)C#N |
InChI: | InChI=1S/C7H3ClFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H |
InChI Key: | GIKLRWNRBOLRDV-UHFFFAOYSA-N |
Boiling Point: | 195 °C at 760 mmHg |
Melting Point: | 53-57 °C |
Purity: | 98 % |
Density: | 1.33 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD03407967 |
LogP: | 2.35078 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111668481-A | Preparation method of metal aluminum secondary battery with multi-group organic micromolecules as positive electrode | 20200527 |
WO-2021013720-A1 | Novel heteroaryl-triazole compounds as pesticides | 20190723 |
WO-2021001528-A1 | Novel galactoside inhibitor of galectins | 20190703 |
CN-110156637-A | A kind of preparation method of the chloro- 3- cyano -5- fluobenzoic acid of 2,4- bis- | 20190618 |
WO-2020227101-A1 | Kcnt1 inhibitors and methods of use | 20190503 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.9938050 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.9938050 |
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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