Nitrone

HCID 6350CAS 75-17-2

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Basic information

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 properties

XLogP: 1.5
Topological polar surface area: 32.6 Å²
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: 1.3 °C · 1.3°C
Boiling point: 48.9 °C · 48.9°C (rough estimate)
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: clear liquid
color: Colorless to Almost colorless
Water Solubility: 170 g/L · 170g/L(20 ºC)
CAS DataBase Reference: 75 · 75-17-2
FDA UNII: 420 JFM0Z1Q · 420JFM0Z1Q
EPA Substance Registry System: Formaldehyde, oxime (75-17-2)
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RTECS: 9720000 · LP9720000
TSCA: TSCA listed
HS Code: 2928 · 2928.00.5000

Safety & regulation

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.