4-Chloro-1,2-naphthoquinone supplier

Name
4-Chloro-1,2-naphthalenedione
EINECS
CAS No. 6655-90-9
Article Data10
CAS DataBase
Density 1.42 g/cm³
Solubility
Melting Point
Formula C₁₀H₅ClO₂
Boiling Point 320.1 °C at 760 mmHg
Molecular Weight 192.601
Flash Point 134.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Naphthoquinone,4-chloro- (6CI,8CI);4-Chloro-o-naphthoquinone;
PSA 34.14000
LogP 2.03170

4-Chloro-1,2-naphthoquinone 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:
(1)SMILES: Cl/C1=C/C(=O)C(=O)c2ccccc12
(2)InChI: InChI=1/C10H5ClO2/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5H
(3)InChIKey: MJUCWPGQCKMILF-UHFFFAOYAF

Product Name

4-Chloro-1,2-naphthalenedione

4-Chloro-1,2-naphthoquinone Specification

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