Dibenzothiophene

Dibenzothiophene Structural Formula

Structural formula

Business number 03NM
Molecular formula C12H8S
Molecular weight 184.25
label

diphenylthiophene,

Dibenzothiophene (thiophene),

Diphenylene sulfide,

aromatic compounds

Numbering system

CAS number:132-65-0

MDL number:MFCD00004969

EINECS number:205-072-9

RTECS number:HQ3490550

BRN number:121101

PubChem number:24861532

Physical property data

None yet

Toxicological data

Acute toxicity data:


Mice orally LD50470mg/kg


Mouse abdominal cavityLD: >500mg/kg


Other multi-dose data:


Rat orallyTDLo7480mg/kg/24W-I

Ecological data

None yet

Molecular structure data


5. Molecular property data:


1 Molar refractive index60.32


2 Molar volume(m3/mol) :147.1


3 Isotonic specific volume90.2K):398.0


4 Surface tension(3.0 dyne/cm):53.5


5 Polarizability0.5 10-24 cm3):23.91


Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 28.2

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 170

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

basic properties

Colorless or white needle-like crystals. Easily soluble in ethanol and benzene, soluble in water and ether. Melting point 97~100℃. Boiling point 332~333℃.

Storage method

storage

Seal and store in a cool place

Synthesis method

None yet

Purpose

Purpose

Used in organic synthesis. Cosmetic and pharmaceutical intermediates.

pt; TEXT-ALIGN: left; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; tab-stops: list 36.0pt; mso-pagination: widow-orphan” align=left>5 Polarizability(0.5 10-24cm3):23.91


Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 28.2

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 170

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

basic properties

Colorless or white needle-like crystals. Easily soluble in ethanol and benzene, soluble in water and ether. Melting point 97~100℃. Boiling point 332~333℃.

Storage method

storage

Seal and store in a cool place

Synthesis method

None yet

Purpose

Purpose

Used in organic synthesis. Cosmetic and pharmaceutical intermediates.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.polyether-factory.com/archives/17646

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