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4,4,5,5-Tetramethyl-1,3-oxazolidin-2-one

HCID 547723
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
52856-03-8
Standard SMILES
CC1(C)NC(=O)OC1(C)C
InChIKey
QULBHIBEAZTUQA-UHFFFAOYSA-N
Molecular formula
C7H13NO2
Average molar mass
143.18 g/mol
Monoisotopic mass
143.09462866

Names & identifiers

Preferred name
4,4,5,5-Tetramethyl-1,3-oxazolidin-2-one
IUPAC
4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
English name
4,4,5,5-Tetramethyl-1,3-oxazolidin-2-one
Molecular formula
C7H13NO2
Molecular weight
143.18

Names & synonyms

4,4,5,5-Tetramethyl-1,3-oxazolidin-2-one52856-03-84,4,5,5-Tetramethyl-2-oxazolidinone2-Oxazolidinone, 4,4,5,5-tetramethyl-SCHEMBL9551085SCHEMBL13917894CCA856034,4,5,5-tetramethyloxazolidin-2-oneAKOS0340087154,4,5,5-tetramethyl-oxazolidin-2-one4,4,5,5-tetramethyloxazolidin -2-oneEN300-344541
Show more names
4,4,5,5-Tetramethyl-1,3-oxazolidin-2-one #Z1509152218

Database identifiers

CAS
52856-03-8
PubChem CID
547723
EC Number
116-603-8
Nikkaji
J581.441C

Properties

Computed structural properties

XLogP
1
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
172

Physicochemical properties

Boiling point
260.6 · 260.6±7.0 °C(Predicted)
Density
0.96 · 0.960±0.06 g/cm3(Predicted)
pka
12.99 · 12.99±0.60(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers1 total

南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]

Related reactions

3 records
New reaction record
HRID 300539 reaction equation
HRID 300539As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 484385 reaction equation
HRID 484385As reactantuspto-grants-1993_07
HRID 1850106 reaction equation
HRID 1850106As productuspto-grants-2015_02

Compound notes

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