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CAS No.: | 1121-37-5 |
---|---|
Name: | Dicyclopropyl ketone |
Article Data: | 43 |
Molecular Structure: | |
Formula: | C7H10O |
Molecular Weight: | 110.156 |
Synonyms: | Dicyclopropylmethanone;NSC 49148;Cyclopropylketone (6CI,7CI,8CI); |
EINECS: | 214-331-5 |
Density: | 1.174 g/cm3 |
Melting Point: | 44.0-44.5 °C |
Boiling Point: | 161 °C at 760 mmHg |
Flash Point: | 39.4 °C |
Solubility: | Soluble in water. |
Appearance: | clear colourless to yellowish liquid |
Hazard Symbols: | F; Xn |
Risk Codes: | 10-36/37/38-20/21/22-5 |
Safety: | 16-36-26-3 |
Transport Information: | UN 1224 3/PG 3 |
PSA: | 17.07000 |
LogP: | 1.37550 |
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The Dicyclopropyl ketone, with CAS registry number 1121-37-5, belongs to the following product categories: (1)Pharmaceutical Intermediates; (2)Cyclopropanes; (3)Simple 3-Membered Ring Compounds; (4)C7 to C8; (5)Carbonyl Compounds; (6)Ketones. It has the systematic name of dicyclopropylmethanone. This chemical is a kind of clear colourless to yellowish liquid. And the main use of this chemical is the pharmaceutical intermediates and organic synthesis.
Physical properties of Dicyclopropyl ketone: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.58; (4)ACD/LogD (pH 7.4): 0.58; (5)ACD/BCF (pH 5.5): 1.61; (6)ACD/BCF (pH 7.4): 1.61; (7)ACD/KOC (pH 5.5): 49.03; (8)ACD/KOC (pH 7.4): 49.03; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 30.24 cm3; (15)Molar Volume: 93.7 cm3; (16)Polarizability: 11.98×10-24cm3; (17)Surface Tension: 52.4 dyne/cm; (18)Enthalpy of Vaporization: 39.76 kJ/mol; (19)Vapour Pressure: 2.32 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Dicyclopropyl ketone is flammable, so keep it away from sources of ignition. And this chemical is harmful by inhalation, in contact with skin and if swallowed. After heating, it may cause an explosion, ao keep it in a cool place. This chemical irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C1CC1)C2CC2
(2)InChI: InChI=1/C7H10O/c8-7(5-1-2-5)6-3-4-6/h5-6H,1-4H2
(3)InChIKey: BIPUHAHGLJKIPK-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H10O/c8-7(5-1-2-5)6-3-4-6/h5-6H,1-4H2
(5)Std. InChIKey: BIPUHAHGLJKIPK-UHFFFAOYSA-N