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588-63-6

Basic Information
CAS No.: 588-63-6
Name: Benzene,(3-bromopropoxy)-
Molecular Structure:
Molecular Structure of 588-63-6 (Benzene,(3-bromopropoxy)-)
Formula: C9H11BrO
Molecular Weight: 215.09
Synonyms: Ether,3-bromopropyl phenyl (6CI,7CI,8CI);(3-Bromopropoxy)benzene;1-Bromo-3-phenoxypropane;3-Bromo-1-phenoxypropane;3-Bromopropyl phenyl ether;3-Phenoxy-1-bromopropane;3-Phenoxypropyl bromide;g-Phenoxypropyl bromide;
EINECS: 209-623-4
Density: 1.347 g/cm3
Melting Point: 10-11 °C(lit.)
Boiling Point: 261.8 °C at 760 mmHg
Flash Point: 96.1 °C
Solubility:
Appearance: light brown liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-24/25
Transport Information:
PSA: 9.23000
LogP: 2.85040
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Specification

The 3-Phenoxypropyl bromide is an organic compound with the formula C9H11BrO. The IUPAC name of this chemical is 3-bromopropoxybenzene. With the CAS registry number 588-63-6, it is also named as 1-Bromo-3-phenoxypropane. The product's categories are Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds. Besides, it should be stored in a closed and cool place.

Physical properties about 3-Phenoxypropyl bromide are: (1)ACD/LogP: 3.29; (2)ACD/LogD (pH 5.5): 3.29; (3)ACD/LogD (pH 7.4): 3.29; (4)ACD/BCF (pH 5.5): 186.93; (5)ACD/BCF (pH 7.4): 186.93; (6)ACD/KOC (pH 5.5): 1471.2; (7)ACD/KOC (pH 7.4): 1471.2; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.537; (12)Molar Refractivity: 49.92 cm3; (13)Molar Volume: 159.6 cm3; (14)Polarizability: 19.79×10-24cm3; (15)Surface Tension: 37.7 dyne/cm; (16)Density: 1.347 g/cm3; (17)Flash Point: 96.1 °C; (18)Enthalpy of Vaporization: 47.94 kJ/mol; (19)Boiling Point: 261.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0184 mmHg at 25°C.

Preparation: this chemical can be prepared by (3-bromo-propyl)-(4-chloro-phenyl)-ether. This reaction will need solvent methanol. The reaction time is 3 hours. The yield is about 26.5%.



Uses of 3-Phenoxypropyl bromide: it can be used to produce (3-iodo-propyl)-phenyl ether. It will need reagent alcohol and sodium iodide.

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 and avoid contact with skin and eyes. 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: BrCCCOc1ccccc1
(2)InChI: InChI=1/C9H11BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
(3)InChIKey: NIDWUZTTXGJFNN-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H11BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
(5)Std. InChIKey: NIDWUZTTXGJFNN-UHFFFAOYSA-N