1-(methoxymethyl)-1H-imidazole

HCID 88359

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Basic information

CAS: 20075-26-7
Standard SMILES: COCn1ccnc1
InChIKey: XJGYZYRJUUMCAP-UHFFFAOYSA-N
Molecular formula: C5H8N2O
Average molar mass: 112.13 g/mol
Monoisotopic mass: 112.06366288

Names & identifiers

Preferred name: 1-(methoxymethyl)-1H-imidazole
IUPAC: 1-(methoxymethyl)imidazole
English name: 1-(methoxymethyl)-1H-imidazole
Molecular formula: C5H8N2O
Molecular weight: 112.13

Names & synonyms

1-(Methoxymethyl)-1H-imidazole1-(methoxymethyl)imidazole1H-Imidazole, 1-(methoxymethyl)-PED3A65HTEEINECS 243-505-3DTXSID90173898N-(METHOXYMETHYL)IMIDAZOLEIMIDAZOLE, 1-(METHOXYMETHYL)-RefChem:74716DTXCID709638920075-26-7MFCD00955700

Show more names

1-(Methoxymethyl)

N-methoxymethyl-imidazoleUNII-PED3A65HTE1-(methoxymethyl)-imidazole1-methoxymethyl-1H-imidazoleSCHEMBL425674SCHEMBL1396064SCHEMBL3401415SCHEMBL5095662

Database identifiers

CAS: 20075-26-7
PubChem CID: 88359
DTXSID: DTXSID90173898
UNII: PED3A65HTE
EC Number: 243-505-3
Nikkaji: J280.439E

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 27.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 67.4

Physicochemical properties

Melting point: -27 ° · -27°
Boiling point: 77 · 77-80 °C(Press: 1 Torr)
Density: 1.06 · 1.06±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 6.53 · 6.53±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
FDA UNII: 3 A65HTE · PED3A65HTE
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.