Identification and Related Records
- 【Name】
- Acetone oxime
- 【Iupac name】
- N-propan-2-ylidenehydroxylamine
- 【Registry number】
- 127-06-0 (CAS DataBase Reference)
- 【Synonyms】
-
Acetone,oxime (6CI,8CI)
Acetoxime
Dimethyl ketoxime
N-Isopropylidenehydroxylamine
NSC 7601
Propanone oxime
b-Isonitrosopropane
2-Propanone, oxime
- 【EINECS(EC#)】
- 204-820-1
- 【Molecular Formula】
- C3H7NO (Products with the same molecular formula)
- 【Molecular Weight】
- 73.09
- 【Inchi】
- InChI=1/C3H7NO/c1-3(2)4-5/h5H,1-2H3
- 【InChIKey】
- PXAJQJMDEXJWFB-UHFFFAOYSA-N
- 【Canonical SMILES】
- CC(=NO)C
127-06-0.mol
Chemical and Physical Properties
- 【Appearance】
- white crystals
- 【Density】
- 0.901
- 【Melting Point】
- 58-62℃
- 【Boiling Point】
- 135℃
- 【Vapour】
- 4.65mmHg at 25°C
- 【Refractive Index】
- 1.4118 (75 C)
- 【Flash Point】
- 60℃
- 【Water】
- 330 g/L (20℃)
- 【Solubilities】
- 330 g/L (20 °C) in water
- 【Stability】
- Stable under normal temperatures and pressures.
- 【Storage temp】
- Store in a cool, dry place. Keep container closed when not in use.
- 【Computed Properties】
- Molecular Weight:73.09378 [g/mol]
Molecular Formula:C3H7NO
XLogP3:0.1
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:3
Exact Mass:73.052764
MonoIsotopic Mass:73.052764
Topological Polar Surface Area:32.6
Heavy Atom Count:5
Formal Charge:0
Complexity:44.9
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Anion Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1
Safety and Handling
- 【Hazard Codes】
- Xn:Harmful;
- 【Safety Statements 】
- S24/25
- 【HazardClass】
- 4.1
- 【PackingGroup 】
- III
- 【Transport】
- 50kgs
China
United States
Canada
msn
skype