Name: 1-BROMO-2-METHYLNAPHTHALENE
SKU: 6627-78-7

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Basic Information

Molecular Structure:
CAS No.:	6627-78-7
Name:	1-BROMO-2-METHYLNAPHTHALENE
Article Data:	35

Formula:	C₁₁H₉Br
Molecular Weight:	221.096
Synonyms:	1-Bromo-4-methylnaphthalene;4-Bromo-1-methylnaphthalene;4-Methyl-1-bromonaphthalene;NSC 60231;
EINECS:	229-599-9
Density:	1.419 g/mL at 25 °C(lit.)
Melting Point:	127-128℃
Boiling Point:	303.7 °C at 760 mmHg
Flash Point:	139.2 °C
Solubility:	Sparingly Soluble in water. (1.9E-3 g/L) (25°C).
Appearance:	COLORLESS TO YELLOW LIQUID
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	0.00000
LogP:	3.91070

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Specification

The Naphthalene,1-bromo-4-methyl-, with the CAS registry number 6627-78-7, is also known as 4-Methyl-1-bromonaphthalene. It belongs to the product categories of Naphthalene Derivatives; Aryl; C9 to C12; Halogenated Hydrocarbons. Its EINECS registry number is 219-966-1. This chemical's molecular formula is C₁₁H₉Br and molecular weight is 221.09. Its systematic name is called 1-bromo-4-methylnaphthalene. The product should be sealed and stored in cool and dry place.

Physical properties of Naphthalene,1-bromo-4-methyl-: (1)ACD/LogP: 4.68; (2)ACD/LogD (pH 5.5): 4.68; (3)ACD/LogD (pH 7.4): 4.68; (4)ACD/BCF (pH 5.5): 2125.14; (5)ACD/BCF (pH 7.4): 2125.14; (6)ACD/KOC (pH 5.5): 8381.88; (7)ACD/KOC (pH 7.4): 8381.88; (8)Index of Refraction: 1.645; (9)Molar Refractivity: 56.61 cm³; (10)Molar Volume: 156 cm³; (11)Surface Tension: 42.8 dyne/cm; (12)Density: 1.417 g/cm³; (13)Flash Point: 139.2 °C; (14)Enthalpy of Vaporization: 52.23 kJ/mol; (15)Boiling Point: 303.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00164 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-methyl-naphthalene. This reaction will need reagent carbon disulfide.

Uses of Naphthalene,1-bromo-4-methyl-: it can be used to produce 4-bromo-[1]naphthoic acid at temperature of 110 °C. This reaction will need reagent Bi(OTf)3, picolinic acid, t-BuOOH and solvent H₂O, pyridine, acetic acid with reaction time of 20 hours. The yield is about 58%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(c1ccccc12)C
(2)InChI: InChI=1/C11H9Br/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,1H3
(3)InChIKey: IDRVLLRKAAHOBP-UHFFFAOYAK