CAS No.1155-51-7,4,4'-Dithiobisbenzoic Acid, Technical Grade Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1155-51-7
Name:	4,4'-Dithiobisbenzoic Acid, Technical Grade
Article Data:	33

Formula:	C₁₄H₁₀O₄S₂
Molecular Weight:	306.363
Synonyms:	Benzoicacid, 4,4'-dithiodi- (6CI,7CI,8CI);4,4'-Dithiobenzoic acid;4,4'-Dithiobis[benzoic acid];4,4'-Dithiodibenzoic acid;Bis(4-carboxyphenyl)disulfide;Bis(p-carboxyphenyl) disulfide;NSC 210281;p,p'-Dithiodi(benzoicacid);
Density:	1.53 g/cm³
Melting Point:	317-320 °C
Boiling Point:	525.2 °C at 760 mmHg
Flash Point:	271.4 °C
Appearance:	Pale Yellow Crystalline Powder
PSA:	125.20000
LogP:	3.88240

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Specification

The Benzoic acid,4,4'-dithiobis- is an organic compound with the formula C₁₄H₁₀O₄S₂. The IUPAC name of this chemical is 4-[(4-carboxyphenyl)disulfanyl]benzoic acid. With the CAS registry number 1155-51-7, it is also named as 4,4'-disulfanediyldibenzoic acid. The product's category is Sulfur & Selenium Compounds.

Physical properties about Benzoic acid,4,4'-dithiobis- are: (1)ACD/LogP: 4.48; (2)ACD/LogD (pH 5.5): 1.32; (3)ACD/LogD (pH 7.4): 0.33; (4)ACD/BCF (pH 5.5): 1.04; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.51; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 103.2 Å²; (12)Index of Refraction: 1.735; (13)Molar Refractivity: 80.04 cm³; (14)Molar Volume: 199.3 cm³; (15)Polarizability: 31.73×10^-24cm³; (16)Surface Tension: 83.8 dyne/cm; (17)Density: 1.53 g/cm³; (18)Flash Point: 271.4 °C; (19)Enthalpy of Vaporization: 84.13 kJ/mol; (20)Boiling Point: 525.2 °C at 760 mmHg; (21)Vapour Pressure: 7.4E-12 mmHg at 25°C.

Uses of Benzoic acid,4,4'-dithiobis-: it can be used to produce 4-mercapto-benzoic acid. It will need reagent aluminium-powder, aqueous sodium carbonate-solution.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ccc(SSc1ccc(cc1)C(=O)O)cc2
(2)InChI: InChI=1/C14H10O4S2/c15-13(16)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)
(3)InChIKey: GAMSSMZJKUMFEY-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C14H10O4S2/c15-13(16)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)
(5)Std. InChIKey: GAMSSMZJKUMFEY-UHFFFAOYSA-N