2-Cyanobenzaldehyde - CAS 7468-67-9
Catalog: |
BB035136 |
Product Name: |
2-Cyanobenzaldehyde |
CAS: |
7468-67-9 |
Synonyms: |
2-formylbenzonitrile |
IUPAC Name: | 2-formylbenzonitrile |
Description: | 2-Cyanobenzaldehyde (CAS# 7468-67-9) is responsible for thousands of phosphorylation events in the phosphoproteome. |
Molecular Weight: | 131.13 |
Molecular Formula: | C8H5NO |
Canonical SMILES: | C1=CC=C(C(=C1)C=O)C#N |
InChI: | InChI=1S/C8H5NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6H |
InChI Key: | QVTPWONEVZJCCS-UHFFFAOYSA-N |
Boiling Point: | 284.9 ℃ at 760 mmHg |
Density: | 1.15 g/cm3 |
Appearance: | White to orange to beige powder, crystals and/or |
MDL: | MFCD00017503 |
LogP: | 1.37078 |
GHS Hazard Statement: | H302 (97.78%): 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-113321575-A | Preparation method of benzyl aryl ether and application of benzyl aryl ether in synthesis | 20210615 |
CN-113214111-A | Preparation method of 3- (2-cyanophenyl) propionic acid and 4-cyano-1-indanone | 20210430 |
CN-112624957-A | Synthetic method of 3-alkyl isoindolinone derivatives | 20210205 |
CN-112266327-A | Method for synthesizing beta-hydroxycarbonyl compound by catalyzing asymmetric Aldol reaction in aqueous phase | 20201116 |
CN-112457265-A | Tetrazole derivative, preparation method thereof, pharmaceutical composition containing tetrazole derivative and application of pharmaceutical composition | 20201106 |
PMID | Publication Date | Title | Journal |
20690700 | 20100903 | Diastereoselective one-pot tandem synthesis of 3-substituted isoindolinones: a mechanistic investigation | The Journal of organic chemistry |
16763311 | 20060601 | 2-Formylbenzonitrile | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 131.037113783 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 131.037113783 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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