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2-Bromo-5-methoxybenzyl bromide

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Name

2-Bromo-5-methoxybenzyl bromide

EINECS N/A
CAS No. 19614-12-1 Density 1.759 g/cm3
PSA 9.23000 LogP 3.35260
Solubility Soluble in hot methanol. Slightly soluble in water. Melting Point 90-94 °C
Formula C8H8Br2O Boiling Point 299.6 °C at 760 mmHg
Molecular Weight 279.959 Flash Point 120.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 19614-12-1 (2-BROMO-5-METHOXYBENZYL BROMIDE  97) Hazard Symbols CorrosiveC
Synonyms

Anisole,4-bromo-3-(bromomethyl)- (8CI);1-Bromo-2-(bromomethyl)-4-methoxybenzene;2-Bromo-5-methoxybenzyl bromide;3-Methoxy-6-bromobenzyl bromide;4-Bromo-3-(bromomethyl)-1-methoxybenzene;5-Methoxy-2-bromobenzyl bromide;

Article Data 45

2-Bromo-5-methoxybenzyl bromide Specification

The Benzene,1-bromo-2-(bromomethyl)-4-methoxy-, with the CAS registry number 19614-12-1, is also known as 2-Bromo-5-methoxybenzyl bromide. It belongs to the product categories of Ethers; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C8H8Br2O and molecular weight is 279.958. What's more, its systematic name is called 1-Bromo-2-(bromomethyl)-4-methoxybenzene. It should be kept in a airtight, cold and dry place.

Physical properties about Benzene,1-bromo-2-(bromomethyl)-4-methoxy- are: (1) ACD/LogP: 3.87; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.87; (4) ACD/LogD (pH 7.4): 3.87; (5) ACD/BCF (pH 5.5): 510.79; (6) ACD/BCF (pH 7.4): 510.79; (7) ACD/KOC (pH 5.5): 3021.08; (8) ACD/KOC (pH 7.4): 3021.08; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.584; (14) Molar Refractivity: 53.26 cm3; (15) Molar Volume: 159.1 cm3; (16) Surface Tension: 41.3 dyne/cm; (17) Density: 1.759 g/cm3; (18) Flash Point: 120.3 °C; (19) Enthalpy of Vaporization: 51.81 kJ/mol; (20) Boiling Point: 299.6 °C at 760 mmHg; (21) Vapour Pressure: 0.0021 mmHg at 25 °C; (22) Melting Point: 90-94 °C.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contacting. What's more, it could cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water. And in case of other accidents or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1cc(OC)ccc1Br
(2) InChI: InChI=1/C8H8Br2O/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4H,5H2,1H3
(3) InChIKey: MURVUTUZSUEIGI-UHFFFAOYAV

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