Product Name

  • Name

    5-(4-CHLOROBUTYL)HYDANTOIN

  • EINECS
  • CAS No. 40126-55-4
  • Density 1.223 g/cm3
  • Solubility
  • Melting Point 131°C
  • Formula C7H11ClN2O2
  • Boiling Point
  • Molecular Weight 190.63
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes R36/37/38
  • Molecular Structure Molecular Structure of 40126-55-4 (5-(4-CHLOROBUTYL)HYDANTOIN)
  • Hazard Symbols
  • Synonyms Hydantoin,5-(4-chlorobutyl)- (6CI,7CI);5-(4-Chlorobutyl)hydantoin;NSC 23787;5-(4-Chlorobutyl)imidazolidine-2,4-dione;5-(4-Chlorobutyl)-2,4-imidazolidinedione;
  • PSA 58.20000
  • LogP 1.26110

2,4-Imidazolidinedione,5-(4-chlorobutyl)- Specification

The 2,4-Imidazolidinedione,5-(4-chlorobutyl)-, with the CAS registry number 40126-55-4, is also known as 5-(4-Chlorobutyl)-2,4-imidazolidinedione. This chemical's molecular formula is C7H11ClN2O2 and molecular weight is 190.63. What's more, its systematic name is 5-(4-chlorobutyl)imidazolidine-2,4-dione. It should be sealed and stored in a cool and dry place.

Physical properties of 2,4-Imidazolidinedione,5-(4-chlorobutyl)- are: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.28; (8)ACD/KOC (pH 7.4): 26.06; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 44.23 cm3; (15)Molar Volume: 155.7 cm3; (16)Polarizability: 17.53×10-24cm3; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.223 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)NC1CCCCCl
(2)InChI: InChI=1S/C7H11ClN2O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h5H,1-4H2,(H2,9,10,11,12)
(3)InChIKey: ZKHLVOULDIXSCC-UHFFFAOYSA-N

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