CAS No.14804-31-0,4-BROMO-2-METHYLANISOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14804-31-0
Name:	4-BROMO-2-METHYLANISOLE
Article Data:	47

Formula:	C₈H₉BrO
Molecular Weight:	201.063
Synonyms:	Anisole,4-bromo-2-methyl- (6CI,7CI,8CI);1-Bromo-4-methoxy-3-methylbenzene;2-Methoxy-5-bromotoluene;4-Bromo-1-methoxy-2-methylbenzene;4-Bromo-2-methylanisole;5-Bromo-2-methoxytoluene;
EINECS:	-0
Density:	1.378g/cm³
Melting Point:	66-69 °C (lit.)
Boiling Point:	226.1 °C at 760 mmHg
Flash Point:	102.3 °C
Appearance:	colorless to light yellow liquid
Hazard Symbols:	Xi
Safety:	24/25
PSA:	9.23000
LogP:	2.76610

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Specification

The Benzene, 4-bromo-1-methoxy-2-methyl-, with the CAS registry number 14804-31-0, is also known as 4-Bromo-2-methylanisole. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds. This chemical's molecular formula is C₈H₉BrO and molecular weight is 201.06. What's more, its IUPAC name is 4-Bromo-1-methoxy-2-methylbenzene. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should be kept away from light, oxidant. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, you should avoid contacting with skin and eyes.

Physical properties about Benzene, 4-bromo-1-methoxy-2-methyl- are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 335.23; (6)ACD/BCF (pH 7.4): 335.23; (7)ACD/KOC (pH 5.5): 2234.82; (8)ACD/KOC (pH 7.4): 2234.82; (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: 1.535; (14)Molar Refractivity: 45.44 cm³; (15)Molar Volume: 145.8 cm³; (16)Polarizability: 18.01×10^-24 cm³; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 1.378 g/cm³; (19)Flash Point: 102.3 °C; (20)Enthalpy of Vaporization: 44.38 kJ/mol; (21)Boiling Point: 226.1 °C at 760 mmHg; (22)Vapour Pressure: 0.125 mmHg at 25 °C.

Preparation of Benzene, 4-bromo-1-methoxy-2-methyl-: this chemical is prepared by 1-Methoxy-2-methyl-benzene. The reaction needs reagent Br₂ and solvent CHCl₃. The reaction temperature is 0 °C. The yield is about 94 %.

The Benzene, 4-bromo-1-methoxy-2-methyl- can be obtained by 1-Methoxy-2-methyl-benzene.

Uses of Benzene, 4-bromo-1-methoxy-2-methyl-: it is used to produce other chemicals. For example, it is used to produce 5-Bromo-2-methoxy-benzaldehyde. This reaction needs reagents Potassium peroxydisulphate, Copper sulphate, Pyridine. Meanwhile, it needs solvents Acetonitrile, H₂O. The reaction time is 3 hours with reaction temperature of 65-70 °C. The yield is about 51 %.

Benzene, 4-bromo-1-methoxy-2-methyl- can be used to produce 5-Bromo-2-methoxy-benzaldehyde.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(c(OC)cc1)C
(2) InChI: InChI=1/C8H9BrO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3
(3) InChIKey: UDLRGQOHGYWLCS-UHFFFAOYAW