Dibenzothiophene supplier | CasNO.132-65-0

Name
Dibenzothiophene
EINECS 205-072-9
CAS No. 132-65-0
Article Data191
CAS DataBase
Density 1.252 g/cm³
Solubility soluble in water
Melting Point 97-100 °C(lit.)
Formula C₁₂H₈S
Boiling Point 332.5 °C at 760 mmHg
Molecular Weight 184.262
Flash Point 114.806 °C
Transport Information UN 2811
Appearance White to light yellow crystal powder
Safety 36
Risk Codes 22-20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms 2,2'-Biphenylylenesulfide;9-Thiafluorene;Dibenzo[b,d]thiophene;Diphenylene sulfide;NSC2843;[1,1'-Biphenyl]-2,2'-diyl sulfide;
PSA 28.24000
LogP 4.05450

Dibenzothiophene Specification

Dibenzothiophene(132-65-0) is a fluorene derivative with the appearance of colourless crystals. It is insoluble in water but can be soluble in Benzene and other related organic solvents. Dibenzothiophene is produced by the reaction of Biphenyl and Sulfur dichloride.The Aluminium trichloride is added as catalyst at the same time. It is used as an intermediate in synthesis of many useful compounds. It is stable under normal temperatures and pressures but it also should be stored in a tightly closed container when not in use and stored in a cool, dry place.

Physical properties about Dibenzothiophene are: (1)ACD/LogP: 4.491; (2)ACD/LogD (pH 5.5): 4.49; (3)ACD/LogD (pH 7.4): 4.49; (4)ACD/BCF (pH 5.5): 1523.87; (5)ACD/BCF (pH 7.4): 1523.87; (6)ACD/KOC (pH 5.5): 6606.20; (7)ACD/KOC (pH 7.4): 6606.20; (8)Index of Refraction: 1.756; (9)Molar Refractivity: 60.322 cm³; (10)Molar Volume: 147.145 cm³; (11)Polarizability: 23.914 10-24cm³; (12)Surface Tension: 53.5789985656738 dyne/cm; (13)Density: 1.252 g/cm³; (14)Flash Point: 114.806 °C; (15)Enthalpy of Vaporization: 55.245 kJ/mol; (16)Boiling Point: 332.5 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H;
(2)InChIKey=IYYZUPMFVPLQIF-UHFFFAOYSA-N;
(3)Smilesc12c3c(cccc3)sc1cccc2

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intraperitoneal	> 500mg/kg (500mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 378, 1952.
mouse	LD50	oral	470mg/kg (470mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: COMA	Fundamental and Applied Toxicology. Vol. 12, Pg. 787, 1989.

Product Name

Dibenzothiophene

Dibenzothiophene Specification

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