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19997-53-6

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Basic Information
CAS No.: 19997-53-6
Name: 2-(bromomethyl)-2,3-dihydrobenzofuran
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 19997-53-6 (2-(bromomethyl)-2,3-dihydrobenzofuran)
Formula: C9H9BrO
Molecular Weight: 213.074
Synonyms: 2-Bromomethyl-2,3-dihydrobenzo[b]furan;2-Bromomethyl-2,3-dihydrobenzofuran;
Density: 1.481 g/cm3
Boiling Point: 279 °C at 760 mmHg
Flash Point: 110.4 °C
PSA: 9.23000
LogP: 2.38500
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Specification

The 2-Bromomethyl-2,3-dihydrobenzofuran, with the CAS registry number 19997-53-6, is also known as Benzofuran, 2-(bromomethyl)-2,3-dihydro-. This chemical's molecular formula is C9H9BrO and molecular weight is 213.07116. Its IUPAC name is called 2-(bromomethyl)-2,3-dihydro-1-benzofuran.

Physical properties of 2-Bromomethyl-2,3-dihydrobenzofuran: (1)ACD/LogP: 2.77; (2)ACD/LogD (pH 5.5): 2.77; (3)ACD/LogD (pH 7.4): 2.77; (4)ACD/BCF (pH 5.5): 74.68; (5)ACD/BCF (pH 7.4): 74.68; (6)ACD/KOC (pH 5.5): 762.9; (7)ACD/KOC (pH 7.4): 762.9; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 47.84 cm3; (12)Molar Volume: 143.8 cm3; (13)Surface Tension: 45.9 dyne/cm; (14)Density: 1.481 g/cm3; (15)Flash Point: 110.4 °C; (16)Enthalpy of Vaporization: 49.69 kJ/mol; (17)Boiling Point: 279 °C at 760 mmHg; (18)Vapour Pressure: 0.00697 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(OC2=CC=CC=C21)CBr
(2)InChI: InChI=1S/C9H9BrO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8H,5-6H2
(3)InChIKey: QYFBYHXEEODTMX-UHFFFAOYSA-N