2,5-Dichlorobenzoyl Cyanide - CAS 64985-85-9
Catalog: |
BB032607 |
Product Name: |
2,5-Dichlorobenzoyl Cyanide |
CAS: |
64985-85-9 |
Synonyms: |
2-(2,5-dichlorophenyl)-2-oxoacetonitrile; 2,5-dichlorobenzoyl cyanide |
IUPAC Name: | 2,5-dichlorobenzoyl cyanide |
Description: | 2,5-Dichlorobenzoyl Cyanide (CAS# 64985-85-9) is a reagent applied for research purposes. |
Molecular Weight: | 200.02 |
Molecular Formula: | C8H3Cl2NO |
Canonical SMILES: | C1=CC(=C(C=C1Cl)C(=O)C#N)Cl |
InChI: | InChI=1S/C8H3Cl2NO/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3H |
InChI Key: | OCMOGGGMWSRSAG-UHFFFAOYSA-N |
Boiling Point: | 303.9 ℃ at 760 mmHg |
Density: | 1.446 g/cm3 |
LogP: | 2.69968 |
Publication Number | Title | Priority Date |
CN-1911905-A | Method for the preparation of benzoyl cyanides | 20050611 |
DE-102005027149-A1 | Process for the preparation of substituted benzoyl cyanides | 20050611 |
EP-1731503-A2 | Method for the preparation of benzoyl cyanides | 20050611 |
US-2006281948-A1 | Process for preparing substituted benzoyl cyanides | 20050611 |
EP-0126225-A1 | Process for the preparation of substituted trialkylsilyloxymalonic-acid dinitriles | 19830325 |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.9591691 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.9591691 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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