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| CAS No.: | 99902-07-5 |
|---|---|
| Name: | 2-THIOPHEN-2-YL-BENZALDEHYDE |
| Article Data: | 23 |
| Molecular Structure: | |
|
|
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| Formula: | C11H8OS |
| Molecular Weight: | 188.25 |
| Synonyms: | 2-(2-Thienyl)benzaldehyde; |
| Density: | 1.207 g/cm3 |
| Boiling Point: | 331 °C at 760 mmHg |
| Flash Point: | 124.1 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 20/22-36/37/38 |
| Safety: | 23-26-36 |
| PSA: | 45.31000 |
| LogP: | 3.22760 |
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- Total:26 Page 1 of 1 1
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Specification
The Benzaldehyde,2-(2-thienyl)-, with the CAS registry number 99902-07-5, is also known as 2-(Thien-2-yl)benzaldehyde 97%. It belongs to the product categories of Aldehydes; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. This chemical's molecular formula is C11H8OS and molecular weight is 188.25. Its IUPAC name is called 2-thiophen-2-ylbenzaldehyde.
Physical properties of Benzaldehyde,2-(2-thienyl)-: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 94.8; (6)ACD/BCF (pH 7.4): 94.8; (7)ACD/KOC (pH 5.5): 904.92; (8)ACD/KOC (pH 7.4): 904.92; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 55.98 cm3; (14)Molar Volume: 155.8 cm3; (15)Surface Tension: 47.3 dyne/cm; (16)Density: 1.207 g/cm3; (17)Flash Point: 124.1 °C; (18)Enthalpy of Vaporization: 57.36 kJ/mol; (19)Boiling Point: 331 °C at 760 mmHg; (20)Vapour Pressure: 0.000161 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C=O)C2=CC=CS2
(2)InChI: InChI=1S/C11H8OS/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-8H
(3)InChIKey: MWYVQGTVFMAUOH-UHFFFAOYSA-N