CAS No.30955-94-3,2-ACETYL-5-IODOTHIOPHENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	30955-94-3
Name:	2-ACETYL-5-IODOTHIOPHENE
Article Data:	9

Formula:	C₆H₅IOS
Molecular Weight:	252.076
Synonyms:	Ketone,5-iodo-2-thienyl methyl (6CI,8CI);1-(5-Iodo-2-thienyl)-1-ethanone;2-Acetyl-5-iodothiophene;5-Acetyl-2-iodothiophene;5-Iodo-2-acetylthiophene;NSC 80387;
EINECS:	-0
Density:	1.902 g/cm³
Melting Point:	130-134 °C
Boiling Point:	306.2 °C at 760 mmHg
Flash Point:	139 °C
Solubility:	Insoluble in water.
Hazard Symbols:	Xn
Risk Codes:	36/37/38-42/43
Safety:	22-26-36/37-45
PSA:	45.31000
LogP:	2.55530

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Specification

The Ethanone,1-(5-iodo-2-thienyl)-, with the CAS registry number 30955-94-3, is also known as 5-Acetyl-2-iodothiophene. It belongs to the product categories of Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes; Thiophenes Building Blocks. This chemical's molecular formula is C₆H₅IOS and molecular weight is 252.06. What's more, its IUPAC name and systematic name are the same which is called 1-(5-Iodothiophen-2-yl)ethanone. Additionally, it should be preserved hermetically and put in a cool, dry place.

Physical properties about Ethanone,1-(5-iodo-2-thienyl)-: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 45.62; (6)ACD/BCF (pH 7.4): 45.62; (7)ACD/KOC (pH 5.5): 536.05; (8)ACD/KOC (pH 7.4): 536.05; (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: 1.637; (14)Molar Refractivity: 47.57 cm³; (15)Molar Volume: 132.5 cm³; (16)Surface Tension: 49.3 dyne/cm; (17)Density: 1.902 g/cm³; (18)Flash Point: 139 °C; (19)Enthalpy of Vaporization: 54.67 kJ/mol; (20)Boiling Point: 306.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000785 mmHg at 25 °C; (22)Melting point: 130-134 °C.

Uses of Ethanone,1-(5-iodo-2-thienyl)-: it is used to produce other chemicals. For example, it can react with 5-Ethyl-4-methyl-thiazole to get 2-Acetyl-5-(5-ethyl-4-methyl-2-thiazolyl)thiophene. The reaction occurs with solvent acetonitrile and other condition of heating for 4 hours. The yield is 70%.

Ethanone,1-(5-iodo-2-thienyl)- can react with 5-Ethyl-4-methyl-thiazole to get 2-Acetyl-5-(5-ethyl-4-methyl-2-thiazolyl)thiophene

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory systemmay. What’s more, it may cause sensitisation by inhalation and skin contacting. You can not breathe it. Therefore, you should wear suitable protective clothing and gloves. And in case of contacting with eyes, you should rinse immediately with plenty of water and if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1sc(I)cc1)C
(2) InChI: InChI=1/C6H5IOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3
(3) InChIKey: XBUCSKKBSJSRLJ-UHFFFAOYAA