1,5,5-Trimethylimidazolidine-2,4-dione

HCID 81295

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6851-81-6
Standard SMILES: CN1C(=O)NC(=O)C1(C)C
InChIKey: ZNYIPTYJBRGSSL-UHFFFAOYSA-N
Molecular formula: C6H10N2O2
Average molar mass: 142.16 g/mol
Monoisotopic mass: 142.07422756

Names & identifiers

Preferred name: 1,5,5-Trimethylimidazolidine-2,4-dione
IUPAC: 1,5,5-trimethylimidazolidine-2,4-dione
English name: 1,5,5-TRIMETHYLHYDANTOIN
Molecular formula: C6H10N2O2
Molecular weight: 142.16

Names & synonyms

6851-81-61,5,5-Trimethylimidazolidine-2,4-dioneDTXSID40218642EINECS 229-945-9RefChem:417069DTXCID90141133229-945-91,5,5-TrimethylhydantoinMFCD000404391,5,5 trimethylhydantoin3,4,4-Trimethyl-2,5-dioxoimidazolidinetrimethylhydantoin

Show more names

1,5,5-Trimethylhydantoine1-Methyl-5,5-dimethylhydantoin1,5,5-TRIMETHYLHYDANTOIN, 99+%1,5,5-Trimethyl-2,4-imidazolidinedione1,5,5-Trimethylhydantoin, 10 mM in DMSO2,4-Imidazolidinedione, 1,5,5-trimethyl-

HMS1720F02CS-W013322HY-W012606T1739D925166HQ1,5,5-trimethyl-1,3-diazolidine-2,4-dioneHydantoin, 1,5,5-trimethyl-

Database identifiers

CAS: 6851-81-6
PubChem CID: 81295
DTXSID: DTXSID40218642
EC Number: 229-945-9
Nikkaji: J101.269J

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 49.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 198

Physicochemical properties

Melting point: 161 · 161-164 °C (lit.)
Boiling point: 259.72 °C · 259.72°C (rough estimate)
Density: 1.2298 · 1.2298 (rough estimate)
refractive index: 1.501 · 1.5010 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Dimethylformamide
form: powder to crystal
pka: 8.99 · 8.99±0.10(Predicted)
color: White to Almost white
InChI: InChI=1S/C6H10N2O2/c1-6(2)4(9)7-5(10)8(6)3/h1-3H3,(H,7,9,10)
InChIKey: ZNYIPTYJBRGSSL-UHFFFAOYSA-N
SMILES: C1(=O)N(C)C(C)(C)C(=O)N1
CAS DataBase Reference: 6851 · 6851-81-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses1,5,5-Trimethylhydantoin (1,5,5-Trimethyl-imidazolidine-2,4-dione) may be used to synthesize 3-bromomethyl-1,5,5-trimethylimidazolid-ine-2,4-dione.

General Description1,5,5-Trimethylhydantoin (TMH) is a 1,5,5-trisubstituted hydantoin. Its mass spectrum has been recorded and analyzed. The density of TMH is 1.1318g/ml at 25°C.