2-Methyl-6-nitrobenzoic anhydride - CAS 434935-69-0
Catalog: |
BB025419 |
Product Name: |
2-Methyl-6-nitrobenzoic anhydride |
CAS: |
434935-69-0 |
Synonyms: |
(2-methyl-6-nitrobenzoyl) 2-methyl-6-nitrobenzoate |
IUPAC Name: | (2-methyl-6-nitrobenzoyl) 2-methyl-6-nitrobenzoate |
Description: | Variety of lactones can be synthesized in high yields using 2-Methyl-6-nitrobenzoic Anhydride in the presence of 4-(Dimethylamino)pyridine. |
Molecular Weight: | 344.28 |
Molecular Formula: | C16H12N2O7 |
Canonical SMILES: | CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(=O)C2=C(C=CC=C2[N+](=O)[O-])C |
InChI: | InChI=1S/C16H12N2O7/c1-9-5-3-7-11(17(21)22)13(9)15(19)25-16(20)14-10(2)6-4-8-12(14)18(23)24/h3-8H,1-2H3 |
InChI Key: | YEKPNMQQSPHKBP-UHFFFAOYSA-N |
Boiling Point: | 559.436 °C at 760 mmHg |
Melting Point: | 177 °C |
Purity: | > 98.0 % (T) |
Density: | 1.417 g/cm3 |
Appearance: | White to tan powder, crystals, crystalline powder and/or chunks |
MDL: | MFCD06797117 |
LogP: | 4.16340 |
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 |
JP-2021073513-A | A liquid crystal composition, a method for producing the same, and a retardation film composed of the liquid crystal composition. | 20210115 |
CN-112250796-A | Preparation method of BX/SGPS nitro-p-methyl benzoate-g-AM/MA | 20200906 |
JP-2021152147-A | Polymerizable liquid crystal compounds, polymerizable liquid crystal compositions, retardation films, elliptical polarizing plates and organic EL display devices | 20200323 |
WO-2021193131-A1 | Polymerizable liquid crystal compound, polymerizable liquid crystal composition, phase difference film, elliptically polarizing plate and organic el display device | 20200323 |
JP-2021143329-A | Polymerizable liquid crystal compositions, retardation films, elliptical polarizing plates and optical displays | 20200311 |
PMID | Publication Date | Title | Journal |
22852530 | 20120815 | Fingerprinting noncanonical and tertiary RNA structures by differential SHAPE reactivity | Journal of the American Chemical Society |
22553899 | 20120601 | MNBA-mediated β-lactone formation: mechanistic studies and application for the asymmetric total synthesis of tetrahydrolipstatin | The Journal of organic chemistry |
22611362 | 20120301 | Two antimycin A analogues from marine-derived actinomycete Streptomyces lusitanus | Marine drugs |
20491466 | 20100618 | Total synthesis of cyanolide A and confirmation of its absolute configuration | Organic letters |
19914845 | 20100201 | Fusaric acid as a novel proton-affinitive derivatizing reagent for highly sensitive quantification of hydroxysteroids by LC-ESI-MS/MS | Journal of the American Society for Mass Spectrometry |
Complexity: | 506 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 344.06445073 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 344.06445073 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 135 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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