CAS No.40231-03-6,2-((TRIMETHYLSILYL)ETHYNYL)THIOPHENE 9& Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40231-03-6
Name:	2-((TRIMETHYLSILYL)ETHYNYL)THIOPHENE 9&
Article Data:	46

Formula:	C₉H₁₂SSi
Molecular Weight:	180.346
Synonyms:	Silane,trimethyl(2-thienylethynyl)- (9CI);1-(2-Thienyl)-2-(trimethylsilyl)acetylene;1-(Trimethylsilyl)-2-(2-thienyl)ethyne;2-Trimethylsylilethynyl-thiophene;2-[(Trimethylsilyl)ethynyl]thiophene;
Density:	0.99 g/cm³
Boiling Point:	203.6 °C at 760 mmHg
Flash Point:	77 °C
Risk Codes:	10
Safety:	16-26-36/37/39
Transport Information:	UN 1993
PSA:	28.24000
LogP:	2.97700

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Specification

The IUPAC name of 2-[(Trimethylsilyl)ethynyl]thiophene is trimethyl(2-thiophen-3-ylethynyl)silane. With the CAS registry number 40231-03-6, it is also named as Thiophene,2-[2-(trimethylsilyl)ethynyl]-. The product's categories are Heterocyclic Compounds; Thiophenes & Benzothiophenes; Building Blocks; Heterocyclic Building Blocks; Thiophenes. In addition, its molecular formula is C₉H₁₂SSi and molecular weight is 180.34.

The other characteristics of 2-[(Trimethylsilyl)ethynyl]thiophene can be summarized as: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.13; (4)ACD/LogD (pH 7.4): 4.13; (5)ACD/BCF (pH 5.5): 812.93; (6)ACD/BCF (pH 7.4): 812.93; (7)ACD/KOC (pH 5.5): 4213.26; (8)ACD/KOC (pH 7.4): 4213.26; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 54.8 cm³; (15)Molar Volume: 181.1 cm³; (16)Polarizability: 21.72×10^-24cm³; (17)Surface Tension: 30.5 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 77 °C; (20)Enthalpy of Vaporization: 42.19 kJ/mol; (21)Boiling Point: 203.6 °C at 760 mmHg; (22)Vapour Pressure: 0.392 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is flammable, so please keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: C(#Cc1sccc1)[Si](C)(C)C
(2)InChI: InChI=1/C9H12SSi/c1-11(2,3)8-6-9-5-4-7-10-9/h4-5,7H,1-3H3
(3)InChIKey: OQUBLKNISPLGJP-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H12SSi/c1-11(2,3)8-6-9-5-4-7-10-9/h4-5,7H,1-3H3
(5)Std. InChIKey: OQUBLKNISPLGJP-UHFFFAOYSA-N