Basic information
- Name:
Thieno[2,3-d]pyrimidine,5-bromo-4-chloro-
- Superlist Name:
- 5-Bromo-4-chlorothieno[2,3-d]pyrimidine
- CAS No.:
814918-95-1
- Molecular Structure:
![Molecular Structure of 814918-95-1 (Thieno[2,3-d]pyrimidine,5-bromo-4-chloro-)](http://www.lookchem.com/300w/2010/0712/814918-95-1.jpg)
- Formula:
- C6H2BrClN2S
- Molecular Weight:
- 249.51
- Synonyms:
- 5-Bromo-4-chlorothieno[2,3-d]pyrimidine;
- Density:
- 1.955 g/cm3
- Boiling Point:
- 345.453 °C at 760 mmHg
- Flash Point:
- 162.724 °C
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Specification
The cas register number of 5-Bromo-4-chlorothieno[2,3-d]pyrimidine is 814918-95-1. It also can be called as Thieno[2,3-d]pyrimidine,5-bromo-4-chloro- and the IUPAC Name about this chemical is 5-bromo-4-chlorothieno[2,3-d]pyrimidine.
Physical properties about 5-Bromo-4-chlorothieno[2,3-d]pyrimidine are: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 2.209; (3)ACD/LogD (pH 7.4): 2.209; (4)ACD/BCF (pH 5.5): 28.09; (5)ACD/BCF (pH 7.4): 28.09; (6)ACD/KOC (pH 5.5): 378.869; (7)ACD/KOC (pH 7.4): 378.87; (8)#H bond acceptors: 2; (9)Polar Surface Area: 54.02Å2; (10)Index of Refraction: 1.736; (11)Molar Refractivity: 51.247 cm3; (12)Molar Volume: 127.612 cm3; (13)Polarizability: 20.316x10-24cm3; (14)Surface Tension: 69.854 dyne/cm; (15)Enthalpy of Vaporization: 56.621 kJ/mol.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C2=C(S1)N=CN=C2Cl)Br
(2)InChI: InChI=1S/C6H2BrClN2S/c7-3-1-11-6-4(3)5(8)9-2-10-6/h1-2H
(3)InChIKey: IKCKRHCJPVDELP-UHFFFAOYSA-N
