2-Fluoro-5-iodobenzonitrile - CAS 351003-36-6
Catalog: |
BB022445 |
Product Name: |
2-Fluoro-5-iodobenzonitrile |
CAS: |
351003-36-6 |
Synonyms: |
2-fluoro-5-iodobenzonitrile |
IUPAC Name: | 2-fluoro-5-iodobenzonitrile |
Description: | 2-Fluoro-5-iodobenzonitrile (CAS# 351003-36-6) is a compound commonly used in synthetic chemistry and is also used as a reagent to synthesize 1-alkyl-1H-indazoles. 2-Fluoro-5-iodobenzonitrile reacts with sodium sulfide to produce mercaptobenzonitriles. |
Molecular Weight: | 247.01 |
Molecular Formula: | C7H3FIN |
Canonical SMILES: | C1=CC(=C(C=C1I)C#N)F |
InChI: | InChI=1S/C7H3FIN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H |
InChI Key: | BIZHQRAAZMDWNK-UHFFFAOYSA-N |
Boiling Point: | 296.1 °C at 760 mmHg |
Melting Point: | 72-76 °C |
Purity: | 98 % |
Density: | 1.934 g/cm3 |
Appearance: | White to tan to yellow solid |
MDL: | MFCD03094225 |
LogP: | 2.30198 |
GHS Hazard Statement: | H302 (95.56%): 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, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020361939-A1 | Modulators of alpha-1 antitrypsin | 20190514 |
WO-2020247160-A1 | Condensed tryciclic pyrroles as alpha-1 antitrypsin modulators | 20190514 |
EP-3778569-A1 | N-heterocyclic five-membered ring-containing capsid protein assembly inhibitor, pharmaceutical composition thereof, and use thereof | 20180330 |
CN-108147978-B | Grp94 inhibitor with benzamide parent nucleus structure and application thereof | 20180211 |
EP-3712139-A1 | Anti-hbv tetrahydroisoxazolo[4,3-c]pyridine compounds | 20171116 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.92942 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.92942 |
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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