Product Name

  • Name

    3-(Chloromethyl)-1,2,4-oxadiazole

  • EINECS 201-215-5
  • CAS No. 51791-12-9
  • Density 1.372 g/cm3
  • Solubility
  • Melting Point
  • Formula C3H3ClN2O
  • Boiling Point 188.4 °C at 760 mmHg
  • Molecular Weight 118.523
  • Flash Point 67.8 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 34
  • Molecular Structure Molecular Structure of 51791-12-9 (3-(Chloromethyl)-1,2,4-oxadiazole)
  • Hazard Symbols CorrosiveC
  • Synonyms 3-(Chloromethyl)-1,2,4-oxadiazole;1,2,4-Oxadiazole, 3-(chloromethyl)-;
  • PSA 38.92000
  • LogP 0.80840

3-(Chloromethyl)-1,2,4-oxadiazole Specification

The 1,2,4-Oxadiazole,3-(chloromethyl)-, with the CAS registry number 51791-12-9, has the systematic name and IUPAC name of 3-(chloromethyl)-1,2,4-oxadiazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C3H3ClN2O.

The characteristics of 1,2,4-Oxadiazole,3-(chloromethyl)- are as followings: (1)ACD/LogP: -0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.25; (4)ACD/LogD (pH 7.4): -0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.4; (8)ACD/KOC (pH 7.4): 17.4; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.92 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 24.5 cm3; (15)Molar Volume: 86.3 cm3; (16)Polarizability: 9.71×10-24cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.372 g/cm3; (19)Flash Point: 67.8 °C; (20)Enthalpy of Vaporization: 40.73 kJ/mol; (21)Boiling Point: 188.4 °C at 760 mmHg; (22)Vapour Pressure: 0.827 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCc1ncon1
(2)InChI: InChI=1/C3H3ClN2O/c4-1-3-5-2-7-6-3/h2H,1H2
(3)InChIKey: YSNKGJCEHOJIDK-UHFFFAOYAU

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