Product Name

  • Name

    3-(Bromomethyl)-5-methylisoxazole

  • EINECS
  • CAS No. 130628-75-0
  • Article Data5
  • CAS DataBase
  • Density 1.582g/cm3
  • Solubility
  • Melting Point
  • Formula C5H6BrNO
  • Boiling Point 228.8 °C at 760 mmHg
  • Molecular Weight 176.013
  • Flash Point 92.2 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39-45
  • Risk Codes 34
  • Molecular Structure Molecular Structure of 130628-75-0 (3-(Bromomethyl)-5-methylisoxazole)
  • Hazard Symbols CorrosiveC
  • Synonyms (5-Methylisoxazol-3-yl)methylbromide;3-Bromomethyl-5-methylisoxazole;
  • PSA 26.03000
  • LogP 1.87790

3-(Bromomethyl)-5-methylisoxazole Specification

The 3-(Bromomethyl)-5-methylisoxazole with the CAS number 130628-75-0 is also called Isoxazole,3-(bromomethyl)-5-methyl-. Its molecular formula is C5H6BrNO. This chemical belongs to the following product categories: (1)Halometyl; (2)Building Blocks; (3)Isoxazole.

The properties of the chemical are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.16; (6)ACD/BCF (pH 7.4): 5.16; (7)ACD/KOC (pH 5.5): 112.72; (8)ACD/KOC (pH 7.4): 112.72; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.03 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 34.11 cm3; (15)Molar Volume: 111.2 cm3; (16)Polarizability: 13.52×10-24cm3; (17)Surface Tension: 41.3 dyne/cm; (18)Enthalpy of Vaporization: 44.65 kJ/mol; (19)Vapour Pressure: 0.109 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical can cause burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1noc(c1)C
(2)InChI: InChI=1/C5H6BrNO/c1-4-2-5(3-6)7-8-4/h2H,3H2,1H3
(3)InChIKey: ASGJFGPILHALRC-UHFFFAOYAO

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