CAS No.3401-47-6,1-Bromo-2-methoxynaphthalene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3401-47-6
Name:	1-Bromo-2-methoxynaphthalene
Article Data:	95

Formula:	C₁₁H₉BrO
Molecular Weight:	237.096
Synonyms:	1-Bromo-2-naphthyl methyl ether;2-Methoxy-1-bromonaphthalene;NSC 110660;
EINECS:	222-272-1
Density:	1.448 g/cm³
Melting Point:	80-83 °C
Boiling Point:	319.248 °C at 760 mmHg
Flash Point:	132.944 °C
Solubility:	Slightly soluble in water.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	9.23000
LogP:	3.61090

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Specification

The Naphthalene, 1-bromo-2-methoxy-, with the CAS registry number of 3401-47-6, is also known as 2-Methoxy-1-bromonaphthalene and 2-Methoxy-1-naphtyl bromide. It belongs to the product categories of Ethers; Organic Building Blocks; Oxygen Compounds. Its EINECS registry number is 222-272-1. This chemical's molecular formula is C₁₁H₉BrO and molecular weight is 237.09. What's more, its IUPAC name is 1-Bromo-2-methoxynaphthalene. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should avoid contact with light.

Physical properties about Naphthalene, 1-bromo-2-methoxy- are: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.94; (4)ACD/LogD (pH 7.4): 3.94; (5)ACD/BCF (pH 5.5): 577.31; (6)ACD/BCF (pH 7.4): 577.31; (7)ACD/KOC (pH 5.5): 3297.77; (8)ACD/KOC (pH 7.4): 3297.77; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 58.46 cm³; (15)Molar Volume: 163.7 cm³; (16)Surface Tension: 42.5 dyne/cm; (17)Density: 1.447 g/cm³; (18)Flash Point: 132.9 °C; (19)Enthalpy of Vaporization: 53.85 kJ/mol; (20)Boiling Point: 319.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000641 mmHg at 25 °C.

Preparation: this chemical is prepared by 2-Methoxy-naphthalene. This reaction needs reagents LiBr and Ceric ammonium nitrate. Meanwhile, it needs solvent Acetonitrile. The reaction time is 20 hours with reaction temperature of 20 °C. The yield is about 98 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-(2-Methoxy-[1]naphthylsulfanyl)-benzoic acid at heating. This reaction needs reagents Anhydrous potassium carbonate; Cu; Zn. Meanwhile, it needs solvent Dimethylformamide. The reaction time is 15 hours. The yield is about 79 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2c(OC)ccc1ccccc12
(2) InChI: InChI=1/C11H9BrO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,1H3
(3) InChIKey: XNIGURFWNPLWJM-UHFFFAOYAT