CAS No.14918-69-5,2,3-DICHLORO-5,8-DIHYDROXY-1,4-NAPHTHOQUINONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	14918-69-5
Name:	2,3-DICHLORO-5,8-DIHYDROXY-1,4-NAPHTHOQUINONE
Article Data:	2

Formula:	C₁₀H₄Cl₂O₄
Molecular Weight:	259.045
Synonyms:	2,3-Dichloro-5,8-dihydroxy-1,4-naphthalenedione;2,3-Dichloro-5,8-dihydroxynaphtho-1,4-quinone;2,3-Dichloronaphthazarin;Dichloronaphthazarin;1,4-Naphthoquinone,2,3-dichloro-5,8-dihydroxy- (8CI);
Density:	1.807 g/cm³
Melting Point:	197-199 °C(lit.)
Boiling Point:	540.4 °C at 760 mmHg
Flash Point:	280.6 °C
Appearance:	dark purple powder
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36
PSA:	74.60000
LogP:	2.16600

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Specification

The 1,4-Naphthalenedione,2,3-dichloro-5,8-dihydroxy-, with the CAS registry number 14918-69-5, is also known as 2,3-Dichloro-5,8-dihydroxy-1,4-naphthalenedione. It belongs to the product categories of Anthraquinones, Hydroquinones and Quinones; Alcohols; Monomers; Polymer Science. This chemical's molecular formula is C₁₀H₄Cl₂O₄ and molecular weight is 259.04. What's more, its systematic name is 2,3-dichloro-5,8-dihydroxynaphthalene-1,4-dione.

Physical properties of 1,4-Naphthalenedione,2,3-dichloro-5,8-dihydroxy- are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 26; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 323; (8)ACD/KOC (pH 7.4): 6; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 74.6 Å²; (13)Index of Refraction: 1.718; (14)Molar Refractivity: 55.633 cm³; (15)Molar Volume: 141.089 cm³; (16)Polarizability: 22.055×10^-24cm³; (17)Surface Tension: 87.383 dyne/cm; (18)Density: 1.836 g/cm³; (19)Flash Point: 238.134 °C; (20)Enthalpy of Vaporization: 76.065 kJ/mol; (21)Boiling Point: 470.142 °C at 760 mmHg.

Preparation: this chemical can be prepared by dichloro-maleic acid anhydride and 1,4-dimethoxy-benzene at the temperature of 170 - 175 °C. This reaction will need reagents AlCl₃, NaCl. The yield is about 81%.

1,4-Naphthalenedione,2,3-dichloro-5,8-dihydroxy- can be prepared by dichloro-maleic acid anhydride and 1,4-dimethoxy-benzene at the temperature of 170 - 175 °C

Uses of 1,4-Naphthalenedione,2,3-dichloro-5,8-dihydroxy-: it can be used to produce 5,8-dihydroxy-2,3-dihydro-[1,4]naphthoquinone by heating. It will need reagents SnCl₂, HCl with the reaction time of 5 hours. The yield is about 90%.

1,4-Naphthalenedione,2,3-dichloro-5,8-dihydroxy- can be used to produce 5,8-dihydroxy-2,3-dihydro-[1,4]naphthoquinone by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(O)c2C(=O)C(\Cl)=C(\Cl)C(=O)c12
(2)InChI: InChI=1S/C10H4Cl2O4/c11-7-8(12)10(16)6-4(14)2-1-3(13)5(6)9(7)15/h1-2,13-14H
(3)InChIKey: UVESKDKGJSABKP-UHFFFAOYSA-N