2,5-Dimethoxybenzonitrile - CAS 5312-97-0
Catalog: |
BB028057 |
Product Name: |
2,5-Dimethoxybenzonitrile |
CAS: |
5312-97-0 |
Synonyms: |
2,5-dimethoxybenzonitrile |
IUPAC Name: | 2,5-dimethoxybenzonitrile |
Description: | 2,5-Dimethoxybenzonitrile (CAS# 5312-97-0) is a useful research chemical. |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | COC1=CC(=C(C=C1)OC)C#N |
InChI: | InChI=1S/C9H9NO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,1-2H3 |
InChI Key: | HWAMEJIMXIXLIH-UHFFFAOYSA-N |
Boiling Point: | 288.8 °C at 760 mmHg |
Density: | 1.12 g/cm3 |
MDL: | MFCD00016375 |
LogP: | 1.57548 |
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-111635334-A | Method for generating nitrile by catalyzing primary amine acceptor-free dehydrogenation through Ru complex | 20200713 |
DE-102018201548-A1 | Electrolytic composition for electrochemical cell for high temperature applications | 20180201 |
WO-2019149812-A1 | Electrolyte composition for electrochemical cell for high-temperature applications | 20180201 |
AU-2014204977-A1 | Pyrazolyl-based carboxamides II as CRAC channel inhibitors | 20130110 |
CA-2897560-A1 | Pyrazolyl-based carboxamides ii as crac channel | 20130110 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS