Ethanone, 1-(cyclopropyl-2,2,3,3-d4</sub>)- supplier

Name
CYCLOPROPYL-2,2,3,3-D4 METHYL KETONE
EINECS
CAS No. 350818-63-2
Density 1.043 g/cm³
Solubility
Melting Point
Formula C₅H₄D₄O
Boiling Point 114.195 °C at 760 mmHg
Molecular Weight 88.14
Flash Point 21.111 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethanone,1-(cyclopropyl-2,2,3,3-d4)- (9CI);1-[(2,2,3,3-2H4)Cyclopropyl]ethanone;Cyclopropyl-2,2,3,3-d4 methyl ketone;
PSA 17.07000
LogP 0.98540

Ethanone, 1-(cyclopropyl-2,2,3,3-d4)- Specification

The Ethanone, 1-(cyclopropyl-2,2,3,3-d₄)-, with the CAS registry number 350818-63-2, is also known as Cyclopropyl-2,2,3,3-d₄ methyl ketone. This chemical's molecular formula is C₅H₄D₄O and molecular weight is 88.14. What's more, its systematic name is 1-[(2,2,3,3-2H₄)Cyclopropyl]ethanone.

Physical properties of Ethanone, 1-(cyclopropyl-2,2,3,3-d₄)- are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.349; (4)ACD/LogD (pH 7.4): 0.349; (5)ACD/BCF (pH 5.5): 1.085; (6)ACD/BCF (pH 7.4): 1.085; (7)ACD/KOC (pH 5.5): 36.89; (8)ACD/KOC (pH 7.4): 36.89; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 23.04 cm³; (15)Molar Volume: 84.49 cm³; (16)Polarizability: 9.134×10^-24cm³; (17)Surface Tension: 33.812 dyne/cm; (18)Density: 1.043 g/cm³; (19)Flash Point: 21.111 °C; (20)Enthalpy of Vaporization: 34.07 kJ/mol; (21)Boiling Point: 114.195 °C at 760 mmHg; (22)Vapour Pressure: 20.121 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C1(C(C1([2H])[2H])C(=O)C)[2H]
(2)InChI: InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3/i2D2,3D2
(3)InChIKey: HVCFCNAITDHQFX-RRVWJQJTSA-N

Product Name

CYCLOPROPYL-2,2,3,3-D4 METHYL KETONE

Ethanone, 1-(cyclopropyl-2,2,3,3-d4)- Specification

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