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2-Thienylzinc bromide

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Name

2-Thienylzinc bromide

EINECS
CAS No. 45438-80-0 Density 0.973 g/cm3
Solubility Melting Point
Formula C4H3BrSZn Boiling Point 84.2 °C at 760 mmHg
Molecular Weight 228.43 Flash Point 1 °F
Transport Information UN 3399 Appearance
Safety 16-29-33 Risk Codes 11-19-36/37
Molecular Structure Molecular Structure of 45438-80-0 (2-Thienylzinc bromide) Hazard Symbols FlammableF, IrritantXi
Synonyms

2-Thienylzinc bromide solution;

 

2-Thienylzinc bromide Specification

The 2-Thienylzinc bromide, with the CAS registry number of 45438-80-0, is also known as 2-Thienylzinc bromide solution. It belongs to the product categories of Heteroaryl; Organozinc Halides; Reike and Organozinc Reagents. This chemical's molecular formula is C4H3BrSZn and molecular weight is 228.43. What's more, its systematic name is called Bromozinc(1+) thiophen-2-ide. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about 2-Thienylzinc bromide are: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.26; (6)ACD/BCF (pH 7.4): 16.26; (7)ACD/KOC (pH 5.5): 256.2; (8)ACD/KOC (pH 7.4): 256.2; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.24 Å2; (13)Enthalpy of Vaporization: 31.48 kJ/mol; (14)Boiling Point: 84.2 °C at 760 mmHg; (15)Vapour Pressure: 81.7 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system. In addition, this chemical may form explosive peroxides. Besides, this chemical is highly flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: [Zn+]Br.[c-]1sccc1
(2) InChI: InChI=1/C4H3S.BrH.Zn/c1-2-4-5-3-1;;/h1-3H;1H;/q-1;;+2/p-1/rC4H3S.BrZn/c1-2-4-5-3-1;1-2/h1-3H;/q-1;+1
(3) InChIKey: KRDONBTWAGIZME-GPGBJYLNAM

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