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690632-00-9

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Basic Information
CAS No.: 690632-00-9
Name: 5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-SULFONYL CHLORIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 690632-00-9 (5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-SULFONYL CHLORIDE)
Formula: C8H6BrClO3S
Molecular Weight: 297.557
Synonyms: 5-Bromo-2,3-dihydro-1-benzofuran-7-sulfonylchloride;5-Bromo-2,3-dihydrobenzo[b]furan-7-sulfonyl chloride;5-Bromo-2,3-dihydrobenzofuran-7-sulfonyl chloride;
Density: 1.832 g/cm3
Melting Point: 121 °C
Boiling Point: 402.7 °C at 760 mmHg
Flash Point: 197.4 °C
Hazard Symbols: CorrosiveC
PSA: 51.75000
LogP: 3.39230
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Specification

This chemical is called 7-Benzofuransulfonylchloride, 5-bromo-2,3-dihydro-, and its systematic name is 5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride. With the molecular formula of C8H6BrClO3S, its molecular weight is 297.55. The CAS registry number of this chemical is 690632-00-9.

Other characteristics of the 7-Benzofuransulfonylchloride, 5-bromo-2,3-dihydro- can be summarised as followings: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 192.91; (6)ACD/BCF (pH 7.4): 192.91; (7)ACD/KOC (pH 5.5): 1504.73; (8)ACD/KOC (pH 7.4): 1504.73; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 57.07 cm3; (15)Molar Volume: 162.4 cm3; (16)Polarizability: 22.62×10-24cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.832 g/cm3; (19)Flash Point: 197.4 °C; (20)Enthalpy of Vaporization: 62.85 kJ/mol; (21)Boiling Point: 402.7 °C at 760 mmHg; (22)Vapour Pressure: 2.5E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: ClS(=O)(=O)c2cc(Br)cc1c2OCC1
2.InChI: InChI=1/C8H6BrClO3S/c9-6-3-5-1-2-13-8(5)7(4-6)14(10,11)12/h3-4H,1-2H2
3.InChIKey: WDCSWTWTTAMPFJ-UHFFFAOYAY