3-Fluorobenzoylacetonitrile - CAS 21667-61-8
Catalog: |
BB017060 |
Product Name: |
3-Fluorobenzoylacetonitrile |
CAS: |
21667-61-8 |
Synonyms: |
3-(3-fluorophenyl)-3-oxopropanenitrile; 3-(3-fluorophenyl)-3-oxopropanenitrile |
IUPAC Name: | 3-(3-fluorophenyl)-3-oxopropanenitrile |
Description: | 3-Fluorobenzoylacetonitrile (CAS# 21667-61-8) is a useful research chemical. |
Molecular Weight: | 163.15 |
Molecular Formula: | C9H6FNO |
Canonical SMILES: | C1=CC(=CC(=C1)F)C(=O)CC#N |
InChI: | InChI=1S/C9H6FNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2 |
InChI Key: | UNGFCWRGMBVFAS-UHFFFAOYSA-N |
Boiling Point: | 304.4 ℃ at 760 mmHg |
Density: | 1.207 g/cm3 |
MDL: | MFCD02260777 |
LogP: | 1.92208 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
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 |
CN-112876482-A | Polysubstituted heterocyclic derivative, preparation method and medical application thereof | 20201231 |
RU-2686489-C1 | Method of producing α-diazocarbonyl compounds in aqueous medium | 20181227 |
US-2020024251-A1 | Compositions and methods comprising substituted 2-aminoimidazoles | 20170331 |
RU-2640304-C1 | Derivatives of 1,4-dioxide of quinoxaline-2-carbonitrile inhibiting tumour cells growth | 20160804 |
JP-2018012834-A | Pigment composition, coloring composition and colored curable composition | 20160707 |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.043341977 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.043341977 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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