| Identification | |
| Name: | 1,2-Naphthalenedione,4-chloro- |
| Synonyms: | 1,2-Naphthoquinone,4-chloro- (6CI,8CI);4-Chloro-o-naphthoquinone; |
| CAS: | 6655-90-9 |
| Molecular Formula: | C10H5ClO2 |
| Molecular Weight: | 192.6 |
| InChI: | InChI=1/C10H5ClO2/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5H |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.42 g/cm3 |
| Refractive index: | 1.625 |
| Specification: |
The 4-Chloro-1,2-naphthoquinone with the CAS number 6655-90-9 is also called 1,2-Naphthalenedione,4-chloro-. Both the systematic name and IUPAC name are 4-chloronaphthalene-1,2-dione. Its molecular formula is C10H5ClO2. This chemical is a kind of organics. It should be stored in dry and cool environment. The properties of the 4-Chloro-1,2-naphthoquinone are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 10.94; (6)ACD/BCF (pH 7.4): 10.94; (7)ACD/KOC (pH 5.5): 192.93; (8)ACD/KOC (pH 7.4): 192.93; (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: 1.625; (14)Molar Refractivity: 47.97 cm3; (15)Molar Volume: 135.5 cm3; (16)Polarizability: 19.01×10-24cm3; (17)Surface Tension: 52.9 dyne/cm; (18)Enthalpy of Vaporization: 56.17 kJ/mol; (19)Vapour Pressure: 0.000326 mmHg at 25°C. Uses: This chemical can react with 1,3-Butadienyloxy-trimethylsilan to prepare 4-(4-oxo-2-buten-1-ylidene)-2-hydroxynaphthalen-1(4H)-one. This reaction needs reagent benzene at heating condition. The reaction time is 2.0 hours. The yield is 32%. You can still convert the following datas into molecular structure: |
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