Isoxazole,5-(chloromethyl)-3-phenyl- supplier

Name
5-(CHLOROMETHYL)-3-PHENYLISOXAZOLE
EINECS
CAS No. 1011-37-6
Article Data9
CAS DataBase
Density 1.222 g/cm³
Solubility
Melting Point 68-70 °C
Formula C₁₀H₈ClNO
Boiling Point 337.6 °C at 760 mmHg
Molecular Weight 193.633
Flash Point 158 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:;
Synonyms 5-(Chloromethyl)-3-phenylisoxazole;
PSA 26.03000
LogP 3.08040

Isoxazole,5-(chloromethyl)-3-phenyl- Specification

The Isoxazole,5-(chloromethyl)-3-phenyl-, with the CAS registry number 1011-37-6, is also known as ZINC00169505. This chemical's molecular formula is C₁₀H₈ClNO and molecular weight is 193.029442. Its IUPAC name is called 5-(chloromethyl)-3-phenyl-1,2-oxazole.

Physical properties of Isoxazole,5-(chloromethyl)-3-phenyl-: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.89; (6)ACD/BCF (pH 7.4): 17.89; (7)ACD/KOC (pH 5.5): 274.27; (8)ACD/KOC (pH 7.4): 274.27; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.556; (13)Molar Refractivity: 51 cm³; (14)Molar Volume: 158.4 cm³; (15)Surface Tension: 42.2 dyne/cm; (16)Density: 1.222 g/cm³; (17)Flash Point: 158 °C; (18)Enthalpy of Vaporization: 55.79 kJ/mol; (19)Boiling Point: 337.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000203 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=NOC(=C2)CCl
(2)InChI: InChI=1S/C10H8ClNO/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6H,7H2
(3)InChIKey: WKLODVHSLLFKMY-UHFFFAOYSA-N

Product Name

5-(CHLOROMETHYL)-3-PHENYLISOXAZOLE

Isoxazole,5-(chloromethyl)-3-phenyl- Specification

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