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Basic Information
CAS No.: 23976-66-1
Name: 2-(2,4,6-TRIBROMOPHENOXY)ETHANOL
Molecular Structure:
Molecular Structure of 23976-66-1 (2-(2,4,6-TRIBROMOPHENOXY)ETHANOL)
Formula: C8H7Br3O2
Molecular Weight: 374.854
Synonyms: (2,4,6-Tribromophenoxy)ethanol;
EINECS: 245-961-9
Density: 2.129 g/cm3
Melting Point: 116 °C
Boiling Point: 384.7 °C at 760mmHg
Flash Point: 186.5 °C
PSA: 29.46000
LogP: 3.34520
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Specification

The CAS registry number of Ethanol,2-(2,4,6-tribromophenoxy)- is 23976-66-1. With the EINECS registry number 245-961-9, its systematic name is 2-(2,4,6-tribromophenoxy)ethanol. In addition, the molecular formula is C8H7Br3O2 and the molecular weight is 374.85. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about Ethanol,2-(2,4,6-tribromophenoxy)- are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 157.63; (6)ACD/BCF (pH 7.4): 157.63; (7)ACD/KOC (pH 5.5): 1302.19; (8)ACD/KOC (pH 7.4): 1302.19; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 62.16 cm3; (15)Molar Volume: 176 cm3; (16)Polarizability: 24.64 ×10-24cm3; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 2.129 g/cm3; (19)Flash Point: 186.5 °C; (20)Enthalpy of Vaporization: 66.81 kJ/mol; (21)Boiling Point: 384.7 °C at 760 mmHg; (22)Vapour Pressure: 1.32E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(Br)cc(Br)c1OCCO
(2)Std. InChI: InChI=1S/C8H7Br3O2/c9-5-3-6(10)8(7(11)4-5)13-2-1-12/h3-4,12H,1-2H2
(3)Std. InChIKey: GXNDUUQGAZRKDB-UHFFFAOYSA-N