CAS No.701-07-5,2-(2'-BROMOPHENOXY)PROPANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	701-07-5
Name:	2-(2'-BROMOPHENOXY)PROPANE
Article Data:	11

Formula:	C₉H₁₁BrO
Molecular Weight:	215.09
Synonyms:	Ether,o-bromophenyl isopropyl (6CI,7CI,8CI);1-Bromo-2-(1-methylethoxy)benzene;1-Bromo-2-isopropoxybenzene;2-Bromo-1-isopropoxybenzene;2-Isopropoxyphenylbromide;o-Isopropoxyphenyl bromide;
Density:	1.446 g/cm³
Boiling Point:	288.4 °C at 760 mmHg
Flash Point:	128.2 °C
Solubility:	Slightly soluble in water.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	9.23000
LogP:	3.23630

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Specification

The CAS register number of Benzene,1-bromo-2-(1-methylethoxy)- is 701-07-5. It also can be called as 1-Bromo-2-(1-methylethoxy)benzene and the systematic name about this chemical is 3-(1,1,2,2-tetrafluoroethoxy)benzoic acid. The molecular formula about this chemical is C₉H₁₁BrO and the molecular weight is 215.09. It belongs to the following product categories which include Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds and so on.

Physical properties about Benzene,1-bromo-2-(1-methylethoxy)- are: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 1.65; (3)ACD/LogD (pH 7.4): 0.28; (4)ACD/BCF (pH 5.5): 4.27; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 33.73; (7)ACD/KOC (pH 7.4): 1.45; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.53Å²; (12)Index of Refraction: 1.459; (13)Molar Refractivity: 45.07 cm³; (14)Molar Volume: 164.6 cm³; (15)Polarizability: 17.86x10^-24cm³; (16)Surface Tension: 33.5 dyne/cm; (17)Enthalpy of Vaporization: 55.72 kJ/mol; (18)Boiling Point: 288.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00109 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-bromo-propane and 2-bromo-phenol. This reaction will need reagent K₂CO₃ and solvent dimethylformamide. The reaction time is 5 hour(s). The yield is about 91%.

Uses of p-Chloropropiophenone: it can be used to produce 2-isopropoxyphenylboronic acid at temperature of -90//-90 - 20 ℃. This reaction is a kind of Metallation//boronation//Hydrolysis. It will need reagent n-butyllithium, trimethyl borate, aq. HCl and solvent tetrahydrofuran, hexane, tetrahydrofuran, hexane with reaction time of 15 min//2 hour(s). The value of PH is 5 - 6. The reaction step is 3. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. 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: FC(F)(Oc1cc(ccc1)C(=O)O)C(F)F
(2)InChI: InChI=1/C9H6F4O3/c10-8(11)9(12,13)16-6-3-1-2-5(4-6)7(14)15/h1-4,8H,(H,14,15)
(3)InChIKey: KXSUHQSIHGQDQV-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H6F4O3/c10-8(11)9(12,13)16-6-3-1-2-5(4-6)7(14)15/h1-4,8H,(H,14,15)
(5)Std. InChIKey: KXSUHQSIHGQDQV-UHFFFAOYSA-N