Benzenamine,2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]- supplier

Name
2-(5-CHLOROMETHYL-[1,2,4]OXADIAZOL-3-YL)-ANILINE
EINECS
CAS No. 886365-74-8
Density 1.361 g/cm³
Solubility
Melting Point
Formula C₉H₈ClN₃O
Boiling Point 384.2 °C at 760 mmHg
Molecular Weight 209.63
Flash Point 186.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[5-(Chloromethyl)-1,2,4-oxadiazol-3-yl]aniline; Benzenamine, 2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-
PSA 64.94000
LogP 2.63880

Benzenamine,2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]- Specification

This chemical is called Benzenamine, 2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-, and its systematic name is 2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline. With the molecular formula of C₉H₈ClN₃O, its CAS registry number of this chemical is 886365-74-8.

Other characteristics of the Benzenamine, 2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]- can be summarised as followings: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27 ; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 64.94 Å²; (9)Index of Refraction: 1.609; (10)Molar Refractivity: 53.32 cm³; (11)Molar Volume: 153.9 cm³; (12)Polarizability: 21.14×10^-24cm³; (13)Surface Tension: 57.5 dyne/cm; (14)Density: 1.361 g/cm³; (15)Flash Point: 186.1 °C; (16)Enthalpy of Vaporization: 63.28 kJ/mol; (17)Boiling Point: 384.2 °C at 760 mmHg; (18)Vapour Pressure: 4.17E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Nc1ccccc1c2nc(CCl)on2
2.InChI: InChI=1/C9H8ClN3O/c10-5-8-12-9(13-14-8)6-3-1-2-4-7(6)11/h1-4H,5,11H2
3.InChIKey: KFBPWVGVJYBSGY-UHFFFAOYAQ

Product Name

2-(5-CHLOROMETHYL-[1,2,4]OXADIAZOL-3-YL)-ANILINE

Benzenamine,2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]- Specification

Related Products

Hot Products