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95-15-8

Basic Information
CAS No.: 95-15-8
Name: Thianaphthene
Article Data: 205
Cas Database
Molecular Structure:
Molecular Structure of 95-15-8 (Thianaphthene)
Formula: C8H6S
Molecular Weight: 134.202
Synonyms: 查看更多英文别名"> Benzothiophen;Thianaphthene;BBT;Thianaphtene;benzothiofuran;BZT;benzothiophene;Thianaphthen;Thianapthene;THIONAPHTHENE;thianaphthalene;1-Thiaindene;Thionaphthen;查看更多英文别名
EINECS: 202-395-7
Density: 1.187 g/cm3
Melting Point: 30-33 °C
Boiling Point: 221 °C at 760 mmHg
Flash Point: 62 °C
Solubility: insoluble in water
Appearance: white to red crystalline low melting solid
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 22-36/37/38-20/21/22
Safety: 22-24/25-36-26
Transport Information: UN 3077
PSA: 28.24000
LogP: 2.90130
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Specification

Thianaphthene(CAS NO.95-15-8) is also named as 1-Benzothiophene; 1-Thiaindene; 2,3-Benzothiophene; AI3-15523; Benzothiofuran; Benzothiophene; NSC 47196; Thianaphtene; Thianaphthen. Benzothiophene is white to red crystalline low melting solid. Benzothiophene is an aromatic organic compound with a molecular formula C8H6S and an odor similar to naphthalene (mothballs). 

Physical properties about Thianaphthene are: (1)ACD/LogP: 3.202; (2)ACD/LogD (pH 5.5): 3.20; (3)ACD/LogD (pH 7.4): 3.20; (4)ACD/BCF (pH 5.5): 159.73; (5)ACD/BCF (pH 7.4): 159.73; (6)ACD/KOC (pH 5.5): 1314.62; (7)ACD/KOC (pH 7.4): 1314.62; (8)Index of Refraction: 1.675; (9)Molar Refractivity: 42.48 cm3; (10)Molar Volume: 113.029 cm3; (11)Polarizability: 16.84 10-24cm3; (12)Surface Tension: 45.9420013427734 dyne/cm; (13)Density: 1.187 g/cm3; (14)Flash Point: 61.999 °C; (15)Enthalpy of Vaporization: 43.882 kJ/mol; (16)Boiling Point: 221 °C at 760 mmHg; (17)Vapour Pressure: 0.163000002503395 mmHg at 25°C

Uses of Thianaphthene: Thianaphthene(CAS NO.95-15-8) has no household use,used primarily in industry and research. Being a heterocyclic compound, it finds use in research as a starting material for the synthesis of larger, usually bioactive structures. It is also used in the manufacturing of dyes such as thioindigo.

When you are using Thianaphthene, please be cautious about it as the following:
1. Do not breathe dust;
2. Avoid contact with skin and eyes;
3. Wear suitable protective clothing;
4. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H;
(2)InChIKey=FCEHBMOGCRZNNI-UHFFFAOYSA-N;
(3)Smilesc12c(scc1)cccc2;