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Basic Information
CAS No.: 27665-39-0
Name: 1,4-Butane-disulfonate
Article Data: 3
Molecular Structure:
Molecular Structure of 27665-39-0 (1,4-Butane-disulfonate)
Formula: C4H10O6S2
Molecular Weight: 218.252
Synonyms: 1,4-Disulfobutane;butane-1,4-disulfonic acid;1,4-Butanedisulfonic acid;
EINECS: 700-472-4
Density: 1.657 g/cm3
Melting Point: 84 °C
PSA: 125.50000
LogP: 1.70380
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  • Casno:

    27665-39-0

    butane-1,4-disulfonate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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  • Butane-1,4-Disulfonic Acid

  • Casno:

    27665-39-0

    Butane-1,4-Disulfonic Acid

    Min.Order: 100 Gram

    FOB Price:  USD $ 0.0-0.0

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  • 1,4-Butane-Disulfonate

  • Casno:

    27665-39-0

    1,4-Butane-Disulfonate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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  • 1,4-Butane-disulfonate

  • Casno:

    27665-39-0

    1,4-Butane-disulfonate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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  • 1,4-Butanedisulfonicacid

  • Casno:

    27665-39-0

    1,4-Butanedisulfonicacid

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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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