3,5-Dinitrobenzyl alcohol - CAS 71022-43-0
Catalog: |
BB034289 |
Product Name: |
3,5-Dinitrobenzyl alcohol |
CAS: |
71022-43-0 |
Synonyms: |
(3,5-dinitrophenyl)methanol |
IUPAC Name: | (3,5-dinitrophenyl)methanol |
Description: | 3,5-Dinitrobenzyl Alcohol was used as a reagent in the synthesis of triaryl benzamides which display significant antiproliferative activity and DNA binding actiivity. Also used in synthesis of di- and tri-substituted benzyl monoesters of succinic acid which display antimicrobial activity against C. albicans, A. niger, E. coli and P. mirabilis. |
Molecular Weight: | 198.13 |
Molecular Formula: | C7H6N2O5 |
Canonical SMILES: | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CO |
InChI: | InChI=1S/C7H6N2O5/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3,10H,4H2 |
InChI Key: | GPHYIQCSMDYRGJ-UHFFFAOYSA-N |
Boiling Point: | 404.2 °C at 760 mmHg |
Melting Point: | 88-92 °C |
Purity: | 95 % |
Density: | 1.56 g/cm3 |
Appearance: | Slightly yellow amorphous powder and chunks |
LogP: | 2.04170 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113121145-A | Concrete crack self-repairing material based on microbial collaborative mineralization and application | 20210415 |
CN-111393300-A | Novel method for synthesizing 3, 5-dinitrobenzyl chloride | 20200413 |
CN-111138107-A | Microorganism immobilization method for self-repairing of concrete cracks | 20200115 |
WO-2020247605-A1 | Compositions and methods for making hybrid polypeptides | 20190604 |
KR-102104801-B1 | Polyimides and optoelectronic devices comprising the same | 20171114 |
PMID | Publication Date | Title | Journal |
21203184 | 20080712 | 3,5-Dinitro-benzyl methane-sulfonate | Acta crystallographica. Section E, Structure reports online |
18019843 | 20070101 | Pi-Pi complexation of bupivacaine and analogues with aromatic receptors: implications for overdose remediation | International journal of nanomedicine |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.02767130 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.02767130 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 112 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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