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| CAS No.: | 67482-48-8 |
|---|---|
| Name: | 3-CHLOROTHIOPHENE-2-CARBALDEHYDE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C5H3ClOS |
| Molecular Weight: | 146.597 |
| Synonyms: | 3-Chlorothiophene-2-carboxaldehyde;3-Chlorothiophene-2-carbaldehyde; |
| Density: | 1.429 |
| Boiling Point: | 230 °C at 760 mmHg |
| Flash Point: | 92.9 °C |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 23-2636/37/39 |
| PSA: | 45.31000 |
| LogP: | 2.21400 |
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Specification
The 3-Chlorothiophene-2-carbaldehyde is a chemical compound with formula C5H3ClOS. Its cas registry number is 67482-48-8. Both its systematic name and IUPAC name are the same which is called 3-chlorothiophene-2-carbaldehyde.
The physical properties about this chemical are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.02; (6)ACD/BCF (pH 7.4): 13.02; (7)ACD/KOC (pH 5.5): 218.45; (8)ACD/KOC (pH 7.4): 218.45; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 36.28 cm3; (14)Molar Volume: 102.5 cm3; (15)Surface Tension: 49 dyne/cm; (16)Density: 1.429 g/cm3; (17)Flash Point: 92.9 °C; (18)Enthalpy of Vaporization: 46.66 kJ/mol; (19)Boiling Point: 230 °C at 760 mmHg; (20)Vapour Pressure: 0.0674 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1sccc1Cl;
(2)InChI: InChI=1/C5H3ClOS/c6-4-1-2-8-5(4)3-7/h1-3H;
(3)InChIKey: PJOJWMNHMJFFCR-UHFFFAOYAK