CAS No.2146-61-4,3-METHOXYPHENETHYL BROMIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2146-61-4
Name:	3-METHOXYPHENETHYL BROMIDE
Article Data:	16

Formula:	C₉H₁₁BrO
Molecular Weight:	215.09
Synonyms:	Anisole, m-(2-bromoethyl)-;1-Bromo-2-(3-methoxyphenyl)ethane;1-(2-Bromo-ethyl)-3-methoxy-benzene;3-Methoxy-1-(2-bromoethyl)benzene;
Density:	1.349 g/cm³
Boiling Point:	253 °C at 760 mmHg
Flash Point:	100.2 °C
Appearance:	COLORLESS TO YELLOW LIQUID
Hazard Symbols:	C
Risk Codes:	22-34-52/53
Safety:	26-36/37/39-45
Transport Information:	UN 3265 8/PG 2
PSA:	9.23000
LogP:	2.63260

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Specification

The Benzene,1-(2-bromoethyl)-3-methoxy-, with the CAS registry number 2146-61-4, is also known as Anisole, m-(2-bromoethyl)-. This chemical's molecular formula is C₉H₁₁BrO and molecular weight is 215.09. What's more, its IUPAC name is 1-(2-bromoethyl)-3-methoxybenzene.

Physical properties of Benzene,1-(2-bromoethyl)-3-methoxy- are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 113.07; (6)ACD/BCF (pH 7.4): 113.07; (7)ACD/KOC (pH 5.5): 1026.57; (8)ACD/KOC (pH 7.4): 1026.57; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 50.21 cm³; (15)Molar Volume: 159.4 cm³; (16)Polarizability: 19.9×10^-24cm³; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.349 g/cm³; (19)Flash Point: 100.2 °C; (20)Enthalpy of Vaporization: 47.06 kJ/mol; (21)Boiling Point: 253 °C at 760 mmHg; (22)Vapour Pressure: 0.0298 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It is harmful if swallowed. It may also cause burns. What's more, the product is harmful to aquatic organisms, and it may cause long-term adverse effects in the aquatic environment. If you contact it with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCc1cc(OC)ccc1
(2)Std. InChI: InChI=1S/C9H11BrO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6H2,1H3
(3)Std. InChIKey: LQDHVNHVHAYANB-UHFFFAOYSA-N