CAS No.537-91-7,Bis(3-nitrophenyl) disulfide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	537-91-7
Name:	Bis(3-nitrophenyl) disulfide
Article Data:	35

Formula:	C₁₂H₈N₂O₄S₂
Molecular Weight:	308.339
Synonyms:	Disulfide,bis(m-nitrophenyl) (7CI,8CI);3,3'-Dinitrodiphenyl disulfide;Bis(3-nitrophenyl) disulfide;Bis(m-nitrophenyl) disulfide;Hinagen;Megasul;NP;NSC 42172;NSC 655043;NSC 66160;NSC 677441;Nitrophenide;m,m'-Dinitrodiphenyl disulfide;
EINECS:	208-677-6
Density:	1.52g/cm³
Melting Point:	78-80 °C(lit.)
Boiling Point:	443.6 °C at 760 mmHg
Flash Point:	222.1 °C
Appearance:	Solid.
Hazard Symbols:	N
Risk Codes:	50/53
Safety:	60-61
Transport Information:	UN 3077
PSA:	142.24000
LogP:	5.34880

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Specification

The Disulfide,bis(3-nitrophenyl), with CAS registry number 537-91-7, belongs to the following product category: Phenyls & Phenyl-Het. It has the systematic name of 1,1'-disulfanediylbis(3-nitrobenzene). And its IUPAC name is 1-nitro-3-[(3-nitrophenyl)disulfanyl]benzene. What's more, its EINECS is 208-677-6.

Physical properties of Disulfide,bis(3-nitrophenyl): (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.06; (4)ACD/LogD (pH 7.4): 4.06; (5)ACD/BCF (pH 5.5): 717.13; (6)ACD/BCF (pH 7.4): 717.13; (7)ACD/KOC (pH 5.5): 3851.59; (8)ACD/KOC (pH 7.4): 3851.59; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 142.24 Å²; (13)Index of Refraction: 1.718; (14)Molar Refractivity: 79.55 cm³; (15)Molar Volume: 201.7 cm³; (16)Polarizability: 31.53×10^-24cm³; (17)Surface Tension: 76.3 dyne/cm; (18)Enthalpy of Vaporization: 67.43 kJ/mol; (19)Vapour Pressure: 1.19E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-nitro-benzenesulfonyl chloride. This reaction will need reagent aq. HI. The reaction time is 3 hour(s) with the temperature of 20 ℃.

Uses of Disulfide,bis(3-nitrophenyl): it can be used to produce 3-nitro-thiophenol. This reaction will need reagents triphenylphosphine, acetic acid and solvent methanol.

When you are using this chemical, please be cautious about it as the following:
The Disulfide,bis(3-nitrophenyl) is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release to the environment. Refer to special instructions / safety data sheets. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cc(SSc1cc(ccc1)[N+]([O-])=O)ccc2
(2)InChI: InChI=1/C12H8N2O4S2/c15-13(16)9-3-1-5-11(7-9)19-20-12-6-2-4-10(8-12)14(17)18/h1-8H
(3)InChIKey: ODOFDWDUSSFUMN-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H8N2O4S2/c15-13(16)9-3-1-5-11(7-9)19-20-12-6-2-4-10(8-12)14(17)18/h1-8H
(5)Std. InChIKey: ODOFDWDUSSFUMN-UHFFFAOYSA-N