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CAS No.: | 118337-33-0 |
---|---|
Name: | 2-BROMO-1-(5-CHLORO-3-METHYLBENZO[B]THIOPHEN-2-YL)ETHAN-1-ONE |
Molecular Structure: | |
Formula: | C11H9BrOS |
Molecular Weight: | 269.16 |
Synonyms: | 2-(Bromoacetyl)-3-methylbenzo[b]thiophene;2-Bromo-1-(3-methylbenzo[b]thiophen-2-yl)ethan-1-one;2-Bromo-1-(3-methylbenzo[b]thiophen-2-yl)ethanone;2-Bromoacetyl-3-methylbenzothiophene; |
Density: | 1.546 g/cm3 |
Melting Point: | 94-97 °C |
Boiling Point: | 365.2 °C at 760 mmHg |
Flash Point: | 174.6 °C |
Appearance: | cream solid. |
Hazard Symbols: | Xi |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 3261 |
PSA: | 45.31000 |
LogP: | 3.78730 |
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The Ethanone, 2-bromo-1-(3-methylbenzo[b]thien-2-yl)-, with the CAS registry number of 118337-33-0, is also known as 2-(Bromoacetyl)-3-methylbenzo[b]thiophene. It belongs to the product categories of Acetyl Halides; Thiophenes & Benzothiophenes. This chemical's molecular formula is C11H9BrOS and molecular weight is 269.16. What's more, its IUPAC name is 2-Bromo-1-(3-methyl-1-benzothiophen-2-yl)ethanone.
Physical properties about Ethanone, 2-bromo-1-(3-methylbenzo[b]thien-2-yl)- are: (1)ACD/LogP: 4.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.81; (4)ACD/LogD (pH 7.4): 4.81; (5)ACD/BCF (pH 5.5): 2673.63; (6)ACD/BCF (pH 7.4): 2673.63; (7)ACD/KOC (pH 5.5): 9879.04; (8)ACD/KOC (pH 7.4): 9879.04; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.31 Å2; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 65.06 cm3; (15)Molar Volume: 174 cm3; (16)Surface Tension: 52.8 dyne/cm; (17)Density: 1.546 g/cm3; (18)Flash Point: 174.6 °C; (19)Enthalpy of Vaporization: 61.14 kJ/mol; (20)Boiling Point: 365.2 °C at 760 mmHg; (21)Vapour Pressure: 1.6E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause burns on contact. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection. 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) SMILES: BrCC(=O)c2sc1ccccc1c2C
(2) InChI: InChI=1/C11H9BrOS/c1-7-8-4-2-3-5-10(8)14-11(7)9(13)6-12/h2-5H,6H2,1H3
(3) InChIKey: PIQSJBQPXDKSHF-UHFFFAOYAV