2-Chloro-3-methoxybenzonitrile - CAS 853331-52-9
Catalog: |
BB037590 |
Product Name: |
2-Chloro-3-methoxybenzonitrile |
CAS: |
853331-52-9 |
Synonyms: |
2-chloro-3-methoxybenzonitrile |
IUPAC Name: | 2-chloro-3-methoxybenzonitrile |
Description: | 2-Chloro-3-methoxybenzonitrile (CAS# 853331-52-9 ) is a useful research chemical. |
Molecular Weight: | 167.59 |
Molecular Formula: | C8H6ClNO |
Canonical SMILES: | COC1=CC=CC(=C1Cl)C#N |
InChI: | InChI=1S/C8H6ClNO/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4H,1H3 |
InChI Key: | QZCKPEQQNFBXHZ-UHFFFAOYSA-N |
Boiling Point: | 264.2 °C at 760 mmHg |
Density: | 1.25 g/cm3 |
Appearance: | Solid |
LogP: | 2.22028 |
GHS Hazard Statement: | H302 (100%): 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, P322, P330, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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 |
WO-2017193288-A1 | Synthesis of phosphine ligands bearing tunable linkage: methods of their use in catalysis | 20160510 |
US-2017369486-A1 | Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotonic acetylcholine receptors | 20141216 |
CN-105120871-A | Use of pyrazolopyrimidine derivatives for the treatment of pi3kDelta related disorders | 20130301 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.0137915 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS