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| CAS No.: | 2746-23-8 |
|---|---|
| Name: | 3-(Chloromethyl)thiophene |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C5H5ClS |
| Molecular Weight: | 132.614 |
| Synonyms: | 3-(Chloromethyl)thiophene;3-Thienylmethyl chloride; |
| Density: | 1.243 g/cm3 |
| Boiling Point: | 183.1 °C at 760 mmHg |
| Flash Point: | 80.1 °C |
| PSA: | 28.24000 |
| LogP: | 2.48690 |
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Specification
The Thiophene,3-(chloromethyl)-, with the CAS registry number 2746-23-8, is also known as 3-Thienylmethyl chloride. This chemical's molecular formula is C5H5ClS and molecular weight is 132.61. What's more, its systematic name is 3-(chloromethyl)thiophene.
Physical properties of Thiophene,3-(chloromethyl)- are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/BCF (pH 5.5): 26; (5)ACD/KOC (pH 5.5): 359; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 28.24 Å2; (8)Index of Refraction: 1.559; (9)Molar Refractivity: 34.403 cm3; (10)Molar Volume: 106.608 cm3; (11)Surface Tension: 38.576 dyne/cm; (12)Density: 1.244 g/cm3; (13)Flash Point: 80.115 °C ; (14)Enthalpy of Vaporization: 40.218 kJ/mol; (15)Boiling Point: 183.125 °C at 760 mmHg; (16)Vapour Pressure: 1.069 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccsc1
(2)InChI: InChI=1S/C5H5ClS/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
(3)InChIKey: KKWWFYAKOFXBEY-UHFFFAOYSA-N