Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Chlorothiophene-2-carbaldehyde |
EINECS | N/A |
CAS No. | 67482-48-8 | Density | 1.429 |
PSA | 45.31000 | LogP | 2.21400 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H3ClOS | Boiling Point | 230 °C at 760 mmHg |
Molecular Weight | 146.597 | Flash Point | 92.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 23-2636/37/39 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Chlorothiophene-2-carboxaldehyde;3-Chlorothiophene-2-carbaldehyde; |
Article Data | 4 |
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