2,4-Oxazolidinedione

HCID 97389CAS 12770-97-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1COC(=O)N1
InChIKey
COWNFYYYZFRNOY-UHFFFAOYSA-N
Molecular formula
C3H3NO3
Average molar mass
101.06 g/mol
Monoisotopic mass
101.01129296

Overview

structure given in first source

Names & identifiers

Preferred name
2,4-Oxazolidinedione
IUPAC
1,3-oxazolidine-2,4-dione
English name
2,4-OXAZOLIDINEDIONE
Molecular formula
C3H3NO3
Molecular weight
101.06

Names & synonyms

2,4-Oxazolidinedione2346-26-12,4-OxazolidenedioneNSC-120350R22D15229RDTXSID60894083RefChem:443942DTXCID401324124OXAZOLIDINE-2,4-DIONE1,3-oxazolidine-2,4-dioneOxazolidinedioneMFCD02691902
Show more names
Oxazolidin-2,4-dione2-2,4-OXAZOLIDINEDIONE9-chloronicotinaldehyde2,4-Oxazolidinedione (7CI, 8CI, 9CI, ACI)
NSC 12035012770-97-7hydroxyoxazolinone1,3-oxazolidin-2,4-dioneUNII-R22D15229RCMLDBU000035112,4oxazolidinedione2,4oxa

Database identifiers

CAS
12770-97-7、2346-26-1
PubChem CID
97389
DTXSID
DTXSID60894083
UNII
R22D15229R
EC Number
874-748-9
Nikkaji
J1.024.458G

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
7

Physicochemical properties

Melting point
89 · 89-90 °C
Boiling point
173 °C · 173 °C(Press: 11 Torr)
Density
1.469 · 1.469±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
6 · 6.00±0.50(Predicted)
Appearance
White to light yellow Solid

Safety & regulation

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
P261-P305+P351+P338

Chemistry & industry

Suppliers50 total

苏州道澜生物医药科技有限公司15952404857 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]

Related reactions

92 records
New reaction record

Linked notes

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