CAS No.158956-23-1,2,5-Dibromo-3-decylthiophene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	158956-23-1
Name:	2,5-Dibromo-3-decylthiophene
Article Data:	2

Formula:	C₁₄H₂₂Br₂S
Molecular Weight:	382.203
Synonyms:	Thiophene, 2,5-dibromo-3-decyl-;
Density:	1.384 g/cm³
Boiling Point:	378.3 °C at 760 mmHg
Flash Point:	182.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	28.24000
LogP:	6.95630

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Specification

The CAS register number of 2,5-Dibromo-3-decylthiophene is 158956-23-1. It also can be called as Thiophene, 2,5-dibromo-3-decyl- and the IUPAC name about this chemical is 2,5-dibromo-3-decylthiophene. The molecular formula about this chemical is C₁₄H₂₂Br₂S and molecular weight is 382.20. It belongs to the following product categories which include Organic Electronics and Photonics; Synthetic Tools and Reagents; Thiophene Monomers and Building Blocks; Thiophenes and so on.

Physical properties about 2,5-Dibromo-3-decylthiophene are: (1)ACD/LogP: 8.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.8; (4)ACD/LogD (pH 7.4): 8.8; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1450955.13; (8)ACD/KOC (pH 7.4): 1450955.13; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 28.24Å²; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 86.62 cm³; (13)Molar Volume: 276.1 cm³; (14)Polarizability: 34.34x10^-24cm³; (15)Surface Tension: 38.1 dyne/cm; (16)Enthalpy of Vaporization: 60.16 kJ/mol; (17)Boiling Point: 378.3 °C at 760 mmHg; (18)Vapour Pressure: 1.38E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1sc(Br)cc1CCCCCCCCCC
(2)InChI: InChI=1/C14H22Br2S/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h11H,2-10H2,1H3
(3)InChIKey: CQDSRZZKSUNTSB-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C14H22Br2S/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h11H,2-10H2,1H3
(5)Std. InChIKey: CQDSRZZKSUNTSB-UHFFFAOYSA-N