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

Name
4-(5-CHLOROMETHYL-[1,2,4]OXADIAZOL-3-YL)-PHENOL
EINECS
CAS No. 5509-32-0
Article Data3
CAS DataBase
Density 1.403 g/cm³
Solubility
Melting Point
Formula C₉H₇ClN₂O₂
Boiling Point 385.9 °C at 760 mmHg
Molecular Weight 210.62
Flash Point 187.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenol,p-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]- (7CI,8CI);4-[5-(Chloromethyl)-1,2,4-oxadiazol-3-yl]phenol;Phenol, 4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-;4-(5-Chloromethyl-[1,2,4]oxadiazol-3-yl)-phenol;
PSA 59.15000
LogP 2.18100

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

The Phenol,4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-, with the CAS registry number 5509-32-0, has the systematic name of 4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₇ClN₂O₂.

The characteristics of Phenol,4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]- are as followings: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 1.99; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 59.15 Å²; (9)Index of Refraction: 1.594; (10)Molar Refractivity: 50.97 cm³; (11)Molar Volume: 150 cm³; (12)Polarizability: 20.2×10^-24cm³; (13)Surface Tension: 57.4 dyne/cm; (14)Density: 1.403 g/cm³; (15)Flash Point: 187.2 °C; (16)Enthalpy of Vaporization: 65.96 kJ/mol; (17)Boiling Point: 385.9 °C at 760 mmHg; (18)Vapour Pressure: 1.66E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1ccc(cc1)c2nc(CCl)on2
(2)InChI: InChI=1/C9H7ClN2O2/c10-5-8-11-9(12-14-8)6-1-3-7(13)4-2-6/h1-4,13H,5H2
(3)InChIKey: XSMCWQFRZFCVAM-UHFFFAOYAL

Product Name

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

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

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