1,4-Benzodioxane-6-carbonitrile - CAS 19102-07-9
Catalog: |
BB014781 |
Product Name: |
1,4-Benzodioxane-6-carbonitrile |
CAS: |
19102-07-9 |
Synonyms: |
2,3-dihydro-1,4-benzodioxin-6-carbonitrile; 2,3-dihydro-1,4-benzodioxine-6-carbonitrile |
IUPAC Name: | 2,3-dihydro-1,4-benzodioxine-6-carbonitrile |
Description: | 1,4-Benzodioxane-6-carbonitrile (CAS# 19102-07-9) is a useful research chemical. |
Molecular Weight: | 161.16 |
Molecular Formula: | C9H7NO2 |
Canonical SMILES: | C1COC2=C(O1)C=CC(=C2)C#N |
InChI: | InChI=1S/C9H7NO2/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4H2 |
InChI Key: | JGSRMKGBXNXODT-UHFFFAOYSA-N |
Boiling Point: | 278.1 °C at 760 mmHg |
Density: | 1.27 g/cm3 |
LogP: | 1.32948 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-108017557-B | Cyanidation method for preparing nitrile compound | 20171206 |
CA-3013022-A1 | Imidazole derivative having jnk inhibitory activity and use thereof | 20160129 |
CN-108699041-A | Novel imidazole derivatives and application thereof with JNK inhibitory activity | 20160129 |
EP-3409668-A1 | Novel imidazole derivative having jnk inhibitory activity and use thereof | 20160129 |
JP-2019508396-A | Novel imidazole derivative having JNK inhibitory activity and use thereof | 20160129 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.047678466 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS