Ethanone,1-(3-methylbenzo[b]thien-2-yl)- supplier

Name
2-ACETYL-3-METHYLBENZO[B]THIOPHENE
EINECS -0
CAS No. 18781-31-2
Density 1.182 g/cm³
Solubility
Melting Point 79-80 °C
Formula C₁₁H₁₀OS
Boiling Point 319.5 °C at 760 mmHg
Molecular Weight 190.266
Flash Point 147 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Ketone,methyl 3-methylbenzo[b]thien-2-yl (7CI,8CI);1-(3-Methylbenzo[b]thiophen-2-yl)ethanone;2-Acetyl-3-methylbenzo[b]thiophene;3-Methyl-2-acetylbenzothiophene;
PSA 45.31000
LogP 3.41230

Ethanone,1-(3-methylbenzo[b]thien-2-yl)- Specification

This chemical is called Ethanone,1-(3-methylbenzo[b]thien-2-yl)-, and its systematic name is 1-(3-methyl-1-benzothiophen-2-yl)ethanone. With the molecular formula of C₁₁H₁₀OS, its CAS registry number is 18781-31-2. In addition, this chemical should be sealed in the ventilated and dry place, away from oxides.

Other characteristics of the Ethanone,1-(3-methylbenzo[b]thien-2-yl)- can be summarised as followings: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.29; (4)ACD/LogD (pH 7.4): 4.29; (5)ACD/BCF (pH 5.5): 1066.39; (6)ACD/BCF (pH 7.4): 1066.39; (7)ACD/KOC (pH 5.5): 5116.61; (8)ACD/KOC (pH 7.4): 5116.61; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.31 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 57.33 cm³; (15)Molar Volume: 160.8 cm³; (16)Polarizability: 22.72×10^-24cm³; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.182 g/cm³; (19)Flash Point: 147 °C; (20)Enthalpy of Vaporization: 56.11 kJ/mol; (21)Boiling Point: 319.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000337 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c2sc1ccccc1c2C)C
2.InChI: InChI=1/C11H10OS/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12/h3-6H,1-2H3
3.InChIKey: HBTQKSGOEOVCBN-UHFFFAOYAX

Product Name

2-ACETYL-3-METHYLBENZO[B]THIOPHENE

Ethanone,1-(3-methylbenzo[b]thien-2-yl)- Specification

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