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1,4-Butanedisulfonicacid

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Name

1,4-Butanedisulfonicacid

EINECS 700-472-4
CAS No. 27665-39-0 Density 1.657 g/cm3
PSA 125.50000 LogP 1.70380
Solubility N/A Melting Point 84 °C
Formula C4H10O6S2 Boiling Point N/A
Molecular Weight 218.252 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 27665-39-0 (1,4-Butane-disulfonate) Hazard Symbols N/A
Synonyms

1,4-Disulfobutane;butane-1,4-disulfonic acid;1,4-Butanedisulfonic acid;

Article Data 3

1,4-Butanedisulfonicacid Specification

The 1,4-Butanedisulfonicacid, with the CAS registry number 27665-39-0, has the systematic name of butane-1,4-disulfonic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C4H10O6S2.

The characteristics of 1,4-Butanedisulfonicacid are as followings: (1)ACD/LogP: -3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -7.67; (4)ACD/LogD (pH 7.4): -7.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 103.5 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 41.27 cm3; (15)Molar Volume: 131.6 cm3; (16)Polarizability: 16.36×10-24cm3; (17)Surface Tension: 77.9 dyne/cm; (18)Density: 1.657 g/cm3

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)CCCCS(=O)(=O)O
(2)InChI: InChI=1/C4H10O6S2/c5-11(6,7)3-1-2-4-12(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)
(3)InChIKey: VERAMNDAEAQRGS-UHFFFAOYAG

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