Acetophenone oxime - CAS 613-91-2
Catalog: |
BB031083 |
Product Name: |
Acetophenone oxime |
CAS: |
613-91-2 |
Synonyms: |
(NE)-N-(1-phenylethylidene)hydroxylamine |
IUPAC Name: | (NE)-N-(1-phenylethylidene)hydroxylamine |
Description: | Acetophenone oxime (CAS# 613-91-2) is a useful research chemical compound. |
Molecular Weight: | 135.16 |
Molecular Formula: | C8H9NO |
Canonical SMILES: | CC(=NO)C1=CC=CC=C1 |
InChI: | InChI=1S/C8H9NO/c1-7(9-10)8-5-3-2-4-6-8/h2-6,10H,1H3/b9-7+ |
InChI Key: | JHNRZXQVBKRYKN-VQHVLOKHSA-N |
Boiling Point: | 245 °C |
Melting Point: | 55-60 °C |
Purity: | 98 % |
Density: | 1.11 g/cm3 |
Appearance: | White solid crystal |
Storage: | 0-6 °C |
MDL: | MFCD00013931 |
LogP: | 1.88480 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3728191-A1 | Microbiocidal picolinamide derivatives | 20171219 |
AU-2016229136-A1 | DNA alkylating agents | 20150310 |
AU-2016229136-B2 | DNA alkylating agents | 20150310 |
CA-2979251-A1 | Dna alkylating agents | 20150310 |
CN-107530556-B | DNA alkylating agent | 20150310 |
PMID | Publication Date | Title | Journal |
23074909 | 20120901 | Cytotoxicity analysis of active components in bitter melon (Momordica charantia) seed extracts using human embryonic kidney and colon tumor cells | Natural product communications |
19562146 | 20090707 | Study of the Beckmann rearrangement of acetophenone oxime over porous solids by means of solid state NMR spectroscopy | Physical chemistry chemical physics : PCCP |
19286355 | 20090401 | Investigation on the Beckmann rearrangement reaction catalyzed by porous solids: MAS NMR and theoretical calculations | Solid state nuclear magnetic resonance |
17477578 | 20070525 | Mechanistic aspects of the formation of aldehydes and nitriles in photosensitized reactions of aldoxime ethers | The Journal of organic chemistry |
16355980 | 20051223 | Is the Beckmann rearrangement a concerted or stepwise reaction? A computational study | The Journal of organic chemistry |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 135.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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