Dibenzofuran-3-sulfonyl chloride supplier

Name
Dibenzofuran-3-sulfonyl chloride
EINECS
CAS No. 42138-14-7
Article Data10
CAS DataBase
Density 1.506 g/cm³
Solubility
Melting Point
Formula C₁₂H₇ClO₃S
Boiling Point 420.528 °C at 760 mmHg
Molecular Weight 266.705
Flash Point 208.128 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols C
Synonyms 3-Dibenzofuransulfonylchloride;
PSA 55.66000
LogP 4.59430

Dibenzofuran-3-sulfonyl chloride Specification

The systematic name of 3-Dibenzofuransulfonylchloride is dibenzo[b,d]furan-3-sulfonyl chloride. With the CAS registry number 42138-14-7, it is also named as Dibenzofuran-3-sulfonyl chloride. The product's categories are Fluorobenzene; Furans; Benzenes. In addition, its molecular formula is C₁₂H₇ClO₃S and molecular weight is 266.70.

The other characteristics of 3-Dibenzofuransulfonylchloride can be summarized as: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 532; (6)ACD/BCF (pH 7.4): 532; (7)ACD/KOC (pH 5.5): 3109; (8)ACD/KOC (pH 7.4): 3109; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.66 Å²; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 67.998 cm³; (15)Molar Volume: 177.115 cm³; (16)Polarizability: 26.957×10^-24cm³; (17)Surface Tension: 57.264 dyne/cm; (18)Density: 1.506 g/cm³; (19)Flash Point: 208.128 °C; (20)Enthalpy of Vaporization: 64.826 kJ/mol; (21)Boiling Point: 420.528 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: ClS(=O)(=O)c1ccc2c3ccccc3oc2c1
(2)InChI: InChI=1/C12H7ClO3S/c13-17(14,15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H
(3)InChIKey: CGJNXSWIIBSXII-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C12H7ClO3S/c13-17(14,15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H
(5)Std. InChIKey: CGJNXSWIIBSXII-UHFFFAOYSA-N

Product Name

Dibenzofuran-3-sulfonyl chloride

Dibenzofuran-3-sulfonyl chloride Specification

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