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31827-94-8

Basic Information
CAS No.: 31827-94-8
Name: Ethanone,2-bromo-1-(4-iodophenyl)-
Article Data: 38
Cas Database
Molecular Structure:
Molecular Structure of 31827-94-8 (Ethanone,2-bromo-1-(4-iodophenyl)-)
Formula: C8H6BrIO
Molecular Weight: 324.944
Synonyms: Acetophenone,2-bromo-4'-iodo- (7CI,8CI);2-Bromo-1-(4-iodophenyl)-1-ethanone;2-Bromo-1-(4-iodophenyl)ethanone;2-Bromo-4'-iodoacetophenone;4-Iodophenacylbromide;NSC 83522;p-Iodophenacyl bromide;
EINECS: N/A
Density: 2.08 g/cm3
Melting Point: 113.5 °C(Solv: ethanol, 95% (64-17-5))
Boiling Point: 328.7 °C at 760 mmHg
Flash Point: 152.6 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: CorrosiveC
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 17.07000
LogP: 2.86880
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Specification

The 2-Bromo-4'-iodoacetophenone, with the CAS registry number 31827-94-8, is also known as Acetophenone, 2-bromo-4'-iodo-. This chemical's molecular formula is C8H6BrIO and molecular weight is 324.94. Its IUPAC name and systematic name are the same which is called 2-bromo-1-(4-iodophenyl)ethanone. When you are using this chemical, please be cautious about it. This chemical may destroy living tissue on contact.

Physical properties about this chemical are: (1)ACD/LogP: 3.39; (2)#H bond acceptors: 1; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 17.07 Å2; (6)Index of Refraction: 1.649; (7)Molar Refractivity: 56.91 cm3; (8)Molar Volume: 156.2 cm3; (9)Surface Tension: 52.3 dyne/cm; (10)Density: 2.08 g/cm3; (11)Flash Point: 152.6 °C; (12)Enthalpy of Vaporization: 57.11 kJ/mol; (13)Boiling Point: 328.7 °C at 760 mmHg; (14)Vapour Pressure: 0.000186 mmHg at 25°C; (15)Storage Temp.: Keep Cold; (16)Sensitive: Lachrymatory.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=O)CBr)I
(2)InChI: InChI=1S/C8H6BrIO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
(3)InChIKey: FSIBMLJFLPWMTD-UHFFFAOYSA-N