CAS No.51527-18-5,2-ACETYL-5-CHLORO-3-METHYLTHIANAPHTHENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51527-18-5
Name:	2-ACETYL-5-CHLORO-3-METHYLTHIANAPHTHENE

Formula:	C₁₁H₉ClOS
Molecular Weight:	224.71
Synonyms:	2-Acetyl-3-methyl-5-chlorobenzo[b]thiophene;2-Acetyl-5-chloro-3-methylbenzo[b]thiophene;2-Acetyl-5-chloro-3-methylthianaphthene,97%;2-Acetyl-5-chloro-3-methylthianaphtene;
Density:	1.3 g/cm³
Melting Point:	115-117 °C
Boiling Point:	352.7 °C at 760 mmHg
Flash Point:	167.1 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	45.31000
LogP:	4.06570

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Specification

The CAS register number of Ethanone,1-(5-chloro-3-methylbenzo[b]thien-2-yl)- is 51527-18-5. It also can be called as 2-Acetyl-5-chloro-3-methylbenzo[b]thiophene and the IUPAC name about this chemical is 1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone. The molecular formula about this chemical is C₁₁H₉ClOS and the molecular weight is 224.71.

Physical properties about Ethanone,1-(5-chloro-3-methylbenzo[b]thien-2-yl)- are: (1)ACD/LogP: 4.88; (2)ACD/LogD (pH 5.5): 4.88; (3)ACD/LogD (pH 7.4): 4.88; (4)ACD/BCF (pH 5.5): 3021.12; (5)ACD/BCF (pH 7.4): 3021.12; (6)ACD/KOC (pH 5.5): 10781.99; (7)ACD/KOC (pH 7.4): 10781.99; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.31 Å²; (11)Index of Refraction: 1.639; (12)Molar Refractivity: 62.22 cm³; (13)Molar Volume: 172.7 cm³; (14)Polarizability: 24.66x10^-24cm³; (15)Surface Tension: 47.2 dyne/cm; (16)Density: 1.3 g/cm³; (17)Flash Point: 167.1 °C; (18)Enthalpy of Vaporization: 59.75 kJ/mol; (19)Boiling Point: 352.7 °C at 760 mmHg; (20)Vapour Pressure: 3.77E-05 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. If you want to use 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. If you want to store it, keep the container tightly sealed in dry and cool places. If you store and use this chemical according the rule, it will not be decomposed. Please ensure that the workshop is well ventilated or equipped with exhaust device.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1c(sc(c1C)C(=O)C)cc2
(2)InChI: InChI=1/C11H9ClOS/c1-6-9-5-8(12)3-4-10(9)14-11(6)7(2)13/h3-5H,1-2H3
(3)InChIKey: FQFYTUVWAHAYMK-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H9ClOS/c1-6-9-5-8(12)3-4-10(9)14-11(6)7(2)13/h3-5H,1-2H3
(5)Std. InChIKey: FQFYTUVWAHAYMK-UHFFFAOYSA-N