4-Chloro-3,5-dinitrobenzonitrile - CAS 1930-72-9
Catalog: |
BB014921 |
Product Name: |
4-Chloro-3,5-dinitrobenzonitrile |
CAS: |
1930-72-9 |
Synonyms: |
4-chloro-3,5-dinitrobenzonitrile |
IUPAC Name: | 4-chloro-3,5-dinitrobenzonitrile |
Description: | 4-Chloro-3,5-dinitrobenzonitrile (CAS# 1930-72-9) is a reagent used in the synthesis of lodoxamide (L469365). Lodoxamide is an antiallergic drug that acts as a mast cell stabilizer. It is effective in the treatment of allergic conjunctivitis and in decreasing vascular permeability. |
Molecular Weight: | 227.56 |
Molecular Formula: | C7H2ClN3O4 |
Canonical SMILES: | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C#N |
InChI: | InChI=1S/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2H |
InChI Key: | SCGDEDHSPCXGEC-UHFFFAOYSA-N |
Boiling Point: | 326.3 ℃ at 760 mmHg |
Density: | 1.68 g/cm3 |
Appearance: | Yellow crystalline powder |
MDL: | MFCD00007067 |
LogP: | 3.07448 |
GHS Hazard Statement: | H302 (97.73%): 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 |
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 |
JP-2019059701-A | Novel fluorine-containing diamine and fluorine-containing dinitro compound, and fluorine-containing polyamic acid and fluorine-containing polyimide including the same | 20170928 |
AU-2013290054-A1 | Imidazotriazinecarbonitriles useful as kinase inhibitors | 20120713 |
EP-2872514-A1 | Imidazotriazinecarbonitriles useful as kinase inhibitors | 20120713 |
PMID | Publication Date | Title | Journal |
11459640 | 20010723 | Nitrobenzene compounds inhibit expression of VCAM-1 | Bioorganic & medicinal chemistry letters |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.9733832 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.9733832 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 115 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS