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| CAS No.: | 17890-56-1 |
|---|---|
| Name: | 2-(HYDROXYMETHYL)BENZO[B]THIOPHENE |
| Article Data: | 32 |
| Molecular Structure: | |
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| Formula: | C9H8OS |
| Molecular Weight: | 164.228 |
| Synonyms: | (Benzothiophen-2-yl)methanol;1-(Benzo[b]thien-2-yl)methanol;1-Benzothien-2-ylmethanol;2-(Hydroxymethyl)benzo[b]thiophene;2-(Hydroxymethyl)benzothiophene;Benz[b]thiophen-2-ylmethanol;Benzo[b]thiophen-2-ylmethanol;Benzothiophene-2-methanol; |
| Density: | 1.294 g/cm3 |
| Melting Point: | 98-101 °C |
| Boiling Point: | 324 °C at 760 mmHg |
| Flash Point: | 149.8 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 48.47000 |
| LogP: | 2.39360 |
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Specification
The Benzo[b]thiophene-2-methanol, with the CAS registry number 17890-56-1, has the systematic name of 1-benzothiophen-2-ylmethanol. It should be stored in sealed containers, and should keep dry at the same time. And the molecular formula of the chemical is C9H8OS.
The characteristics of Benzo[b]thiophene-2-methanol are as followings: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 158.19; (6)ACD/BCF (pH 7.4): 158.19; (7)ACD/KOC (pH 5.5): 1305.53; (8)ACD/KOC (pH 7.4): 1305.53; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.47 Å2; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 48.93 cm3; (15)Molar Volume: 126.8 cm3; (16)Polarizability: 19.39×10-24cm3; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.294 g/cm3; (19)Flash Point: 149.8 °C; (20)Enthalpy of Vaporization: 59.75 kJ/mol; (21)Boiling Point: 324 °C at 760 mmHg; (22)Vapour Pressure: 0.000103 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes. Therefore, if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCc2sc1ccccc1c2
(2)InChI: InChI=1/C9H8OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,10H,6H2
(3)InChIKey: SUHKSQTXXZQEBH-UHFFFAOYAM