CAS No.2887-72-1,3',5'-Dibromo-4'-hydroxyacetophenone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2887-72-1
Name:	3',5'-Dibromo-4'-hydroxyacetophenone
Article Data:	25

Formula:	C₈H₆Br₂O₂
Molecular Weight:	293.942
Synonyms:	Acetophenone,3',5'-dibromo-4'-hydroxy- (7CI,8CI);1-(3,5-Dibromo-4-hydroxyphenyl)ethanone;NSC 41698;
EINECS:	220-750-4
Density:	1.936 g/cm³
Melting Point:	182-187 °C
Boiling Point:	337.7 °C at 760 mmHg
Flash Point:	158 °C
Hazard Symbols:	C, Xi
Risk Codes:	22-34
Safety:	26-36/37/39-45
Transport Information:	UN 1759 8/PG 3
PSA:	37.30000
LogP:	3.11980

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Specification

The 3',5'-Dibromo-4'-hydroxyacetophenone, with the cas registry number 2887-72-1 and EINECS registry number 220-750-4, has the systematic name of 1-(3,5-dibromo-4-hydroxyphenyl)ethanone. It belongs to the following product categories: Aromatic Acetophenones & Derivatives (substituted);Building Blocks for Dendrimers; Functional Materials; C7 to C8; Carbonyl Compounds; Ketones. And the molecular formula of the chemical is C₈H₆Br₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 99.08; (6)ACD/BCF (pH 7.4): 1.99; (7)ACD/KOC (pH 5.5): 657.56; (8)ACD/KOC (pH 7.4): 13.18; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 53.54 cm³; (15)Molar Volume: 151.7 cm³; (16)Polarizability: 21.22×10^-24cm³; (17)Surface Tension: 52.4 dyne/cm; (18)Density: 1.936 g/cm³; (19)Flash Point: 158 °C; (20)Enthalpy of Vaporization: 60.4 kJ/mol; (21)Boiling Point: 337.7 °C at 760 mmHg; (22)Vapour Pressure: 5.27E-05 mmHg at 25°C.

Preparation of 3',5'-Dibromo-4'-hydroxyacetophenone: This chemical can be prepared by 1-(4-hydroxy-phenyl)-ethanone. The reaction will need reagent bromine and AcOH, and the menstruum H₂O. The reaction time is 15 minutes with temperature of 20°C, and the yield is about 75%.

You should be cautious while dealing with this chemical. It is harmful if swallowed, and may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc(cc(Br)c1O)C(=O)C
(2)InChI: InChI=1/C8H6Br2O2/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-3,12H,1H3
(3)InChIKey: ZNWPTJSBHHIXLJ-UHFFFAOYAE