CAS No.10075-62-4,1,4-DIMETHOXYNAPHTHALENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	10075-62-4
Name:	1,4-DIMETHOXYNAPHTHALENE
Article Data:	59

Formula:	C₁₂H₁₂O₂
Molecular Weight:	188.226
Synonyms:	1,4-Dimethoxynaphthalene;NSC 221272;
EINECS:	233-209-2
Density:	1.097 g/cm³
Melting Point:	85 °C
Boiling Point:	317.6 °C at 760 mmHg
Flash Point:	134.3 °C
Solubility:	Soluble in water.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	18.46000
LogP:	2.85700

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Specification

The Naphthalene,1,4-dimethoxy-, with its CAS registry number 10075-62-4, has the IUPAC name of 1,4-dimethoxynaphthalene. And it has the molecular formula of C₁₂H₁₂O₂. Besides, as a kind of powder, it belong to the product categories which include Naphthalene derivatives; Ethers; Organic Building Blocks; Oxygen Compounds. When store it, keep it at the temperature of 2-8 °C.

The characteristics of Naphthalene,1,4-dimethoxy- are as follows: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 199.8; (6)ACD/BCF (pH 7.4): 199.8; (7)ACD/KOC (pH 5.5): 1543.01; (8)ACD/KOC (pH 7.4): 1543.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 57.45 cm³; (15)Molar Volume: 171.5 cm³; (16)Polarizability: 22.77×10^-24cm³; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.097 g/cm³; (19)Flash Point: 134.3 °C; (20)Enthalpy of Vaporization: 53.68 kJ/mol; (21)Boiling Point: 317.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000708 mmHg at 25°C; (23)Exact Mass: 188.08373; (24)MonoIsotopic Mass: 188.08373; (25)Topological Polar Surface Area: 18.5; (26)Heavy Atom Count: 14; (27)Complexity: 161; (28)Isotope Atom Count: 0; (29)Covalently-Bonded Unit Count: 1; (30)Feature 3D Acceptor Count: 2; (31)Feature 3D Ring Count: 2; (32)Effective Rotor Count: 2; (33)Conformer Sampling RMSD: 0.6.

Use of this chemical: Naphthalene,1,4-dimethoxy- could react to produce 2-bromo-1,4-dimethoxy-naphthalene, and it happens in the reagent of Br₂, Fe and the solvent of CHCl₃.

Production method of this chemical: Sulfuric acid dimethyl ester could react with naphthalene-1,4-diol to produce naphthalene,1,4-dimethoxy-, and it happens in the reagent of aqueous KOH at 100 °C.

When you are using this chemical, you should be careful. For being irritating to eyes, respiratory system and skin, this chemical may cause inflammation to the skin or other mucous membranes. Therefore, if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: COC1=CC=C(C2=CC=CC=C21)OC
(2)InChI: InChI=1S/C12H12O2/c1-13-11-7-8-12(14-2)10-6-4-3-5-9(10)11/h3-8H,1-2H3
(3)InChIKey: FWWRTYBQQDXLDD-UHFFFAOYSA-N