5-(Chloromethyl)isoxazole supplier

Name
5-(Chloromethyl)isoxazole
EINECS
CAS No. 57777-33-0
Article Data4
CAS DataBase
Density 1.261 g/cm³
Solubility
Melting Point
Formula C₄H₄ClNO
Boiling Point 200.1 °C at 760 mmHg
Molecular Weight 117.535
Flash Point 74.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isoxazole, 5-(chloromethyl)-;
PSA 26.03000
LogP 1.41340

5-(Chloromethyl)isoxazole Specification

The 5-(Chloromethyl)isoxazole, with the CAS registry number 57777-33-0, is also known as Isoxazole, 5-(chloromethyl)-. This chemical's molecular formula is C₄H₄ClNO and molecular weight is 117.53. What's more, its systematic name is 5-(Chloromethyl)isoxazole.

Physical properties about 5-(Chloromethyl)isoxazole are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 26.03 Å²; (7)Index of Refraction: 1.478; (8)Molar Refractivity: 26.4 cm³; (9)Molar Volume: 93.1 cm³; (10)Polarizability: 10.46×10^-24 cm³; (11)Surface Tension: 37.5 dyne/cm; (12)Density: 1.261 g/cm³; (13)Flash Point: 74.8 °C; (14)Enthalpy of Vaporization: 41.85 kJ/mol; (15)Boiling Point: 200.1 °C at 760 mmHg; (16)Vapour Pressure: 0.467 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCc1oncc1
(2) InChI: InChI=1/C4H4ClNO/c5-3-4-1-2-6-7-4/h1-2H,3H2
(3) InChIKey: OGCMYKGUHKUPCM-UHFFFAOYAH

Product Name

5-(Chloromethyl)isoxazole

5-(Chloromethyl)isoxazole Specification

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