1,2-Benzisoxazole - CAS 271-95-4
Catalog: |
BB019497 |
Product Name: |
1,2-Benzisoxazole |
CAS: |
271-95-4 |
Synonyms: |
1,2-benzoxazole |
IUPAC Name: | 1,2-benzoxazole |
Description: | 1,2-Benzisoxazole has therapeutic uses. It could be useful for treating parkinsonism. |
Molecular Weight: | 119.12 |
Molecular Formula: | C7H5NO |
Canonical SMILES: | C1=CC=C2C(=C1)C=NO2 |
InChI: | InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-8-9-7/h1-5H |
InChI Key: | KTZQTRPPVKQPFO-UHFFFAOYSA-N |
Boiling Point: | 208.4 °C at 760 mmHg |
Density: | 1.174 g/mL at 25 °C (lit.) |
LogP: | 1.82780 |
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 |
EP-3842444-A1 | Organometallic compound, organic light-emitting device including the same and electronic apparatus including the organic light-emitting device | 20191224 |
US-2021193938-A1 | Organometallic compound, organic light-emitting device including the same and electronic apparatus including the organic light-emitting device | 20191224 |
EP-3838908-A1 | Organometallic compound and organic light-emitting device including the same | 20191220 |
US-2021188800-A1 | Lanthionine c-like protein 2 ligands, cells prepared therewith, and therapies using same | 20191220 |
US-2021193937-A1 | Organometallic compound and organic light-emitting device including the same | 20191220 |
PMID | Publication Date | Title | Journal |
23125740 | 20121001 | 3-Benzyl-5-methyl-1,2-benzoxazole 2-oxide | Acta crystallographica. Section E, Structure reports online |
23125779 | 20121001 | 3-Chloro-methyl-6,7-dimethyl-1,2-benz-oxazole | Acta crystallographica. Section E, Structure reports online |
22728365 | 20120606 | Catalytic asymmetric hydrogenation of 3-substituted benzisoxazoles | Molecules (Basel, Switzerland) |
22519818 | 20120601 | Benzisoxazole analogs as glycogen synthase activators, a patent evaluation (WO2011057956) | Expert opinion on therapeutic patents |
22641533 | 20120601 | Modulation of imprinting efficiency in nanogels with catalytic activity in the Kemp elimination | Journal of molecular recognition : JMR |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 119.037113783 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 119.037113783 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Isoxazoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS