Bicyclo[3.3.1]nonane-2,6-dione supplier

Name
Bicyclo[3.3.1]nonane-2,6-dione
EINECS
CAS No. 16473-11-3
Article Data15
CAS DataBase
Density 1.138 g/cm³
Solubility
Melting Point 151 °C
Formula C₉H₁₂O₂
Boiling Point 283.718 °C at 760 mmHg
Molecular Weight 152.193
Flash Point 105.574 °C
Transport Information
Appearance White to off-white crystalline powder
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols Xi
Synonyms Bicyclo(3.3.1)nonane-2,6-dione;Meerwein's ketone;NSC 92375;Bicyclo[3.3.1]nonan-2,6-dion;
PSA 34.14000
LogP 1.33470

Bicyclo[3.3.1]nonane-2,6-dione Specification

The Bicyclo[3.3.1]nonane-2,6-dione, with the CAS registry number 16473-11-3, belongs to the following product categories: C9; Carbonyl Compounds; Ketones. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₁₂O₂.

The characteristics of Bicyclo[3.3.1]nonane-2,6-dione are as followings: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.02; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.29; (8)ACD/KOC (pH 7.4): 24.29; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 39.81 cm³; (15)Molar Volume: 133.6 cm³; (16)Polarizability: 15.78×10^-24cm³; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.138 g/cm³; (19)Flash Point: 105.6 °C; (20)Enthalpy of Vaporization: 52.27 kJ/mol; (21)Boiling Point: 283.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00311 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause serious damage to eyes. Therefore, you had better take the following instructions: Wear eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1CCC2C(=O)CCC1C2
(2)InChI: InChI=1/C9H12O2/c10-8-3-1-6-5-7(8)2-4-9(6)11/h6-7H,1-5H2
(3)InChIKey: QWNPVTXLBMSEPN-UHFFFAOYAI

Product Name

Bicyclo[3.3.1]nonane-2,6-dione

Bicyclo[3.3.1]nonane-2,6-dione Specification

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