CAS 3530-82-3 5-(Phenylmethyl)-2,4-imidazolidinedione (HCID 73565)

Overview

5-benzylhydantoin is an imidazolidine-2,4-dione that is hydantoin substituted by a benzyl group at position 5. It is a member of benzenes and an imidazolidine-2,4-dione.

Names & identifiers

Preferred name: 5-(Phenylmethyl)-2,4-imidazolidinedione
IUPAC: 5-benzylimidazolidine-2,4-dione
English name: 5-Benzyl-2,4-imidazolinedione
Molecular formula: C10H10N2O2
Molecular weight: 190.2

Names & synonyms

5-Benzylhydantoin3530-82-35-(Phenylmethyl)-2,4-imidazolidinedioneRefChem:9132225-benzylimidazolidine-2,4-dione5-BENZYL HYDANTOIN2,4-Imidazolidinedione, 5-(phenylmethyl)-MFCD00016634dl-5-benzylhydantoin5-benzyl-2,4-imidazolidinedioneNSC 30459CHEMBL1914996

Show more names

NSC 50842Hydantoin 5-BenzylBenzylidenhydantoinDL-5-BENZYL-HYDANTOINHydantoin Impurity 105-(phenylmethyl)imidazolidine-2,4-dione

NSC-30459NSC-50842D-5-benzylhydantoin5-Benzyl-2,4-imidazolinedione5-Benzylimidazolidin-2,4-dione5-benzyl-hydantoin5-benzyl-hydantoine2,4-Imidazolidinedione,5-(phenylmethyl)-

Database identifiers

CAS: 3530-82-3
PubChem CID: 73565
DTXSID: DTXSID40874065
ChEMBL: CHEMBL1914996
ChEBI: CHEBI:233551
UNII: MG67DQ24RF
EC Number: 222-563-3
Nikkaji: J26.393A

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 247

Experimental & physicochemical properties

LogP0.6

Physicochemical properties

Melting point: 188 · 188-189
Density: 1.25 · 1.250±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer
solubility: Methanol (Slightly)
form: Solid
pka: 8.88 · 8.88±0.10(Predicted)
color: White
InChI: 1S/C10H10N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)
InChIKey: DBOMTIHROGSFTI-UHFFFAOYSA-N
SMILES: O=C1NC(Cc2ccccc2)C(=O)N1
CAS DataBase Reference: 3530 · 3530-82-3(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
target organs: Respiratory system
Hazard Codes: Xi
Risk Statements: 36 · 36-37-38
Safety Statements: 26 · 26
WGK Germany: 3 · WGK 3
Hazard Note: Irritant
HS Code: 2933210090 · 2933210090
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 40 reports by companies from 3 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

wgk: WGK 3
hs_code: 2933210090
risk_code: 36-37-38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26
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: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362