4-Cyanobenzoyl chloride - CAS 6068-72-0
Catalog: |
BB030772 |
Product Name: |
4-Cyanobenzoyl chloride |
CAS: |
6068-72-0 |
Synonyms: |
4-cyanobenzoyl chloride |
IUPAC Name: | 4-cyanobenzoyl chloride |
Description: | 4-Cyanobenzoyl chloride (CAS# 6068-72-0) is a useful research chemical. |
Molecular Weight: | 165.58 |
Molecular Formula: | C8H4ClNO |
Canonical SMILES: | C1=CC(=CC=C1C#N)C(=O)Cl |
InChI: | InChI=1S/C8H4ClNO/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4H |
InChI Key: | USEDMAWWQDFMFY-UHFFFAOYSA-N |
Boiling Point: | 289.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.32 g/cm3 |
Appearance: | Almost white to beige crystalline powder |
MDL: | MFCD00001822 |
LogP: | 1.93728 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113480487-A | Benzotriazole-containing fluorescent compound, and preparation method and application thereof | 20210616 |
CN-113061098-A | Amide compound and derivative thereof, preparation method, pharmaceutical composition and application | 20210118 |
CN-111892540-A | Isolongifolane indazole compound and preparation method and application thereof | 20200717 |
CN-111393429-A | Isothiazole oxadiazole biphenyl amide derivatives and preparation method and application thereof | 20200421 |
WO-2021209377-A1 | A process for the preparation of 4-cyanobenzoyl chlorides | 20200416 |
PMID | Publication Date | Title | Journal |
11277512 | 20010326 | An improved synthesis of 1,2,4-oxadiazoles on solid support | Bioorganic & medicinal chemistry letters |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.9981414 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.9981414 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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