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2,3-Dihydro-1-benzofuran-5-sulfonyl chloride

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Name

2,3-Dihydro-1-benzofuran-5-sulfonyl chloride

EINECS N/A
CAS No. 115010-11-2 Density 1.495 g/cm3
PSA 51.75000 LogP 2.62980
Solubility N/A Melting Point 84 °C
Formula C8H7ClO3S Boiling Point 339.6 °C at 760 mmHg
Molecular Weight 218.661 Flash Point 159.2 °C
Transport Information N/A Appearance UN 3261
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 115010-11-2 (2,3-Dihydro-1-benzofuran-5-sulfonyl chloride) Hazard Symbols CorrosiveC
Synonyms

2,3-Dihydro-5-benzofuransulfonyl chloride;2,3-Dihydrobenzofuran-5-sulfonylchloride;

Article Data 29

2,3-Dihydro-1-benzofuran-5-sulfonyl chloride Specification

The 5-Benzofuransulfonylchloride, 2,3-dihydro-, with CAS registry number 115010-11-2, belongs to the following product categories: (1)Sulfonylhalide; (2)Fluorobenzene; (3)Benzodiozoles, Benzodioxines & Benzodioxepines; (4)Sulphonyl Chlorides; (5)Furans. It has the systematic name of 2,3-dihydro-1-benzofuran-5-sulfonyl chloride. And the chemical formula of this chemical is C8H7ClO3S.

Physical properties of 5-Benzofuransulfonylchloride, 2,3-dihydro-: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.76; (6)ACD/BCF (pH 7.4): 47.76; (7)ACD/KOC (pH 5.5): 553.99; (8)ACD/KOC (pH 7.4): 553.99; (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: 1.59; (14)Molar Refractivity: 49.34 cm3; (15)Molar Volume: 146.2 cm3; (16)Polarizability: 19.56×10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Enthalpy of Vaporization: 56 kJ/mol; (19)Vapour Pressure: 0.000179 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 5-Benzofuransulfonylchloride, 2,3-dihydro- may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact 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 the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c2cc1c(OCC1)cc2
(2)InChI: InChI=1/C8H7ClO3S/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2
(3)InChIKey: RVWYPBARHGPULM-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H7ClO3S/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2
(5)Std. InChIKey: RVWYPBARHGPULM-UHFFFAOYSA-N

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