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3-Phenylthiophene | CAS Number: 2404-87-7

Catalog Number
ACM2404877
Product Name
3-Phenylthiophene
Structure
CAS Number
2404-87-7
Synonyms
3-PHENYLTHIOPHENE;Thiophene, 3-phenyl-;Phenylthiophene;3-PHENYLTHIOPHEN 95%;3-PHENYLTHIOPHENE 95+%;3-Phenylthiophene 95%
Molecular Weight
160.24
Molecular Formula
C10H8S
Purity
>95.0%(GC)
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1Vibrational spectroscopic, NMR parameters and electronic properties of three 3-phenylthiophene derivatives via density functional theory.

Mei-Rong Y1, Yu S1, Yong-Jin X1.

Springerplus. 2014 Nov 28;3:701. doi: 10.1186/2193-1801-3-701. eCollection 2014.

Quantum chemistry calculations have been performed to compute the optimized geometries, vibrational frequencies, and Mulliken Charges at B3LYP/6-31G(d) and B3LYP/6-311++G(d,p) levels for 3-(4-fluorophenyl)thiophene (FPT), 3-(4-nitrophenyl)thiophene (NPT) and 3-(4-cyanophenyl) thiophene (CPT) in the ground state. In addition, the (13)C and (1)H NMR are calculated by B3LYP/6-311++G(d,p) and B3LYP/6-311++G(2d,2p) methods. Read More

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Email:
Tel:1-201-478-8534
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Address: Suite 212, Waverly Plaza, 755 Waverly Avenue, Holtsville, NY 11742, USA