Benzo[b]thiophene-2-methanol supplier

Name
2-(HYDROXYMETHYL)BENZO[B]THIOPHENE
EINECS
CAS No. 17890-56-1
Article Data32
CAS DataBase
Density 1.294 g/cm³
Solubility
Melting Point 98-101 °C
Formula C₉H₈OS
Boiling Point 324 °C at 760 mmHg
Molecular Weight 164.228
Flash Point 149.8 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
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;
PSA 48.47000
LogP 2.39360

Benzo[b]thiophene-2-methanol 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

Product Name

2-(HYDROXYMETHYL)BENZO[B]THIOPHENE

Benzo[b]thiophene-2-methanol Specification

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