Nitrone
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Basic information
- CAS
75-17-2- Standard SMILES
C=NO- InChIKey
SQDFHQJTAWCFIB-UHFFFAOYSA-N- Molecular formula
- CH3NO
- Average molar mass
- 45.041 g/mol
- Monoisotopic mass
- 45.02146372
Overview
structure in first source
Names & identifiers
- Preferred name
- Nitrone
- IUPAC
- N-methylidenehydroxylamine
- English name
- FORMOXIME
- Molecular formula
- CH3NO
- Molecular weight
- 45.04
Names & synonyms
FormaldoximeFormoxime75-17-2NitroneMethyleneamine N-oxide420JFM0Z1QDTXSID9058785RefChem:141199DTXCID6047733CHEBI:77477200-845-7FORMALDEHYDE, OXIME
Show more names
CH2=NOHformaldehydeoximeFormaldehyde,oximeFormaldoximesolutionmethyleneaminen-oxideN-HydroxymethyleneimineFormoxime (10% in water)
Formaldehyde oximeN-methylidenehydroxylamineMFCD00058969Formoxime (10% in Water, ca. 2.4mol/L),Formoxime (10% in Water, ca. 2.4mol/L)CCRIS 7741EINECS 200-845-7BRN 1697325
Database identifiers
- CAS
75-17-2- PubChem CID
- 6350
- DTXSID
DTXSID9058785- ChEMBL
CHEMBL324784- UNII
- 420JFM0Z1Q
- EC Number
- 200-845-7
- Nikkaji
- J1.442G、J714.762G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Formal charge
- 0
- Complexity
- 12.3
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 2.5 °C · 2.5 °C (36.5 °F; 275.6 K)
- Boiling point
- 84 °C · 84 °C (183 °F; 357 K)
- Density
- 1.133 · 1.1330
- refractive index
- 1.44 · 1.4400 (estimate)
- storage temp.
- 0 · 0-10°C
- solubility
- frequently used in aqueous solution or in admixture with aqueous methanolic solution
- pka
- 11.1 · 11.10±0.10(Predicted)
- form
- liquid
- color
- colorless
- Water Solubility
- 170 g/L · 170g/L(20 ºC)
- CAS DataBase Reference
- 75 · 75-17-2
- FDA UNII
- 420 JFM0Z1Q · 420JFM0Z1Q
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- rtecs
- LP9720000
- hs_code
- 2928.00.5000
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationFormaldehyde, oxime: INACTIVE
Applications
UsesFORMOXIME is used for formylation of arenes via diazonium salts; 1,3-dipolar cycloaddition with electron-deficient alkenes and alkynes to form isoxazolidines.
Upstream & downstream products
Downstream products
Related reactions
15 records
Compound notes
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