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38220-78-9

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Basic Information
CAS No.: 38220-78-9
Name: 5-BROMO-2-CHLOROMETHYLBENZOFURAN
Article Data: 3
Molecular Structure:
Molecular Structure of 38220-78-9 (5-BROMO-2-CHLOROMETHYLBENZOFURAN)
Formula: C9H6BrClO
Molecular Weight: 245.5
Synonyms: 5-BROMO-2-CHLOROMETHYLBENZOFURAN;3-[(Piperazin-4-yl)methyl]benzaldehyde, N1-BOC protected;5-Bromo-2-chloromethylbenzofurane;4-(3-Formylbenzyl)piperazine, N1-BOC protected 97%;5-Bromo-2-(chloromethyl)benzo[b]furan;5-Bromo-2-chloromethylbenzofuran, 97+%;5-Bromo-2-(chloromethyl)-1-benzofuran
Density: 1.634 g/cm3
Melting Point: 62-64 °C
Boiling Point: 309.7 °C at 760 mmHg
Flash Point: 141.1 °C
Hazard Symbols: CorrosiveC
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Specification

The Benzofuran,5-bromo-2-(chloromethyl)- is an organic compound with the formula C9H6BrClO. The systematic name of this chemical is 5-bromo-2-(chloromethyl)-1-benzofuran. With the CAS registry number 38220-78-9, it is also named as 5-Bromo-2-chloromethylbenzofuran.

Physical properties about Benzofuran,5-bromo-2-(chloromethyl)- are: (1)ACD/LogP: 3.71; (2)ACD/LogD (pH 5.5): 3.71; (3)ACD/LogD (pH 7.4): 3.71; (4)ACD/BCF (pH 5.5): 388.91; (5)ACD/BCF (pH 7.4): 388.91; (6)ACD/KOC (pH 5.5): 2485.53; (7)ACD/KOC (pH 7.4): 2485.53; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 13.14 Å2; (11)Index of Refraction: 1.635; (12)Molar Refractivity: 53.85 cm3; (13)Molar Volume: 150.2 cm3; (14)Polarizability: 21.34×10-24cm3; (15)Surface Tension: 45.8 dyne/cm; (16)Density: 1.634 g/cm3; (17)Flash Point: 141.1 °C; (18)Enthalpy of Vaporization: 52.85 kJ/mol; (19)Boiling Point: 309.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc1c(oc(c1)CCl)cc2
(2)InChI: InChI=1/C9H6BrClO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5H2
(3)InChIKey: IGVKTJSZEQNSNH-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H6BrClO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5H2
(5)Std. InChIKey: IGVKTJSZEQNSNH-UHFFFAOYSA-N