Thieno[2,3-d]pyrimidine,4-chloro-6-phenyl- supplier

Name
4-CHLORO-6-PHENYLTHIENO[2,3-D]PYRIMIDINE
EINECS
CAS No. 35970-79-7
Article Data8
CAS DataBase
Density 1.396 g/cm³
Solubility
Melting Point 139 - 140ºC
Formula C₁₂H₇ClN₂S
Boiling Point 417.4 °C at 760 mmHg
Molecular Weight 246.72
Flash Point 206.3 °C
Transport Information
Appearance white solid.
Safety 26-45
Risk Codes Xi:;
Molecular Structure
Hazard Symbols 36/37/38:;
Synonyms 4-Chloro-6-phenylthieno[2,3-d]pyrimidine;
PSA 54.02000
LogP 4.01170

Thieno[2,3-d]pyrimidine,4-chloro-6-phenyl- Specification

The Thieno[2,3-d]pyrimidine,4-chloro-6-phenyl- is an organic compound with the formula C₁₂H₇ClN₂S. The IUPAC name of this chemical is 4-chloro-6-phenylthieno[2,3-d]pyrimidine. With the CAS registry number 35970-79-7, it is also named as 4-chloro-2-phenylthieno[2,3-d]pyrimidine.

Physical properties about Thieno[2,3-d]pyrimidine,4-chloro-6-phenyl- are: (1)ACD/LogP: 3.55; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 54.02 Å²; (5)Index of Refraction: 1.698; (6)Molar Refractivity: 68.14 cm³; (7)Molar Volume: 176.7 cm³; (8)Polarizability: 27.01×10^-24cm³; (9)Surface Tension: 59.9 dyne/cm; (10)Density: 1.396 g/cm³; (11)Flash Point: 206.3 °C; (12)Enthalpy of Vaporization: 64.48 kJ/mol; (13)Boiling Point: 417.4 °C at 760 mmHg; (14)Vapour Pressure: 8.57E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncnc1sc(cc12)c3ccccc3
(2)InChI: InChI=1/C12H7ClN2S/c13-11-9-6-10(8-4-2-1-3-5-8)16-12(9)15-7-14-11/h1-7H
(3)InChIKey: WJFATWIQZZNARY-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H7ClN2S/c13-11-9-6-10(8-4-2-1-3-5-8)16-12(9)15-7-14-11/h1-7H
(5)Std. InChIKey: WJFATWIQZZNARY-UHFFFAOYSA-N

Product Name

4-CHLORO-6-PHENYLTHIENO[2,3-D]PYRIMIDINE

Thieno[2,3-d]pyrimidine,4-chloro-6-phenyl- Specification

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