1,2,4-Oxadiazole,5-[2-(bromomethyl)phenyl]-3-methyl- supplier

Name
5-[2-(Bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole
EINECS
CAS No. 892501-91-6
Density 1.491g/cm³
Solubility
Melting Point 64 °C
Formula C₁₀H₉BrN₂O
Boiling Point 368.8 °C at 760 mmHg
Molecular Weight 253.098
Flash Point 176.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms 5-[2-(Bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole;5-[2-(Bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole 97%;2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzyl bromide 97%
PSA 38.92000
LogP 2.93990

1,2,4-Oxadiazole,5-[2-(bromomethyl)phenyl]-3-methyl- Specification

The 1,2,4-Oxadiazole,5-[2-(bromomethyl)phenyl]-3-methyl-, with CAS registry number 892501-91-6, has the systematic name of 5-[2-(bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole. This chemical may destroy living tissue on contact. And the chemical formula of this chemical is C₁₀H₉BrN₂O.

Physical properties of 1,2,4-Oxadiazole,5-[2-(bromomethyl)phenyl]-3-methyl-: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 38.92 Å²; (9)Index of Refraction: 1.583; (10)Molar Refractivity: 56.8 cm³; (11)Molar Volume: 169.7 cm³; (12)Polarizability: 22.51×10^-24cm³; (13)Surface Tension: 49.1 dyne/cm; (14)Density: 1.491 g/cm³; (15)Flash Point: 176.9 °C; (16)Enthalpy of Vaporization: 59.14 kJ/mol; (17)Boiling Point: 368.8 °C at 760 mmHg; (18)Vapour Pressure: 2.63E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nc(on1)c2ccccc2CBr
(2)InChI: InChI=1/C10H9BrN2O/c1-7-12-10(14-13-7)9-5-3-2-4-8(9)6-11/h2-5H,6H2,1H3
(3)InChIKey: GTXIOLDSSMKRDR-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H9BrN2O/c1-7-12-10(14-13-7)9-5-3-2-4-8(9)6-11/h2-5H,6H2,1H3
(5)Std. InChIKey: GTXIOLDSSMKRDR-UHFFFAOYSA-N

Product Name

5-[2-(Bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole

1,2,4-Oxadiazole,5-[2-(bromomethyl)phenyl]-3-methyl- Specification

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