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Name |
Thiophene-2-carboxaldoxime |
EINECS | 249-778-5 |
CAS No. | 29683-84-9 | Density | 1.26g/cm3 |
PSA | 60.83000 | LogP | 1.55620 |
Solubility | N/A | Melting Point |
132-136°C |
Formula | C5H5NOS | Boiling Point | 212.8 °C at 760 mmHg |
Molecular Weight | 127.167 | Flash Point | 82.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Formylthiopheneoxime;2-Thiophenealdehyde oxime;2-Thiophenecarboxaldoxime;NSC 110538;Thiophene-2-aldoxime; |
Article Data | 61 |
The Thiophene-2-carboxaldoxime, with CAS registry number 29683-84-9, belongs to the following product category: Oxime. It has the systematic name of thiophene-2-carbaldehyde oxime. And its IUPAC name is (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine. What's more, its EINECS is 249-778-5.
Physical properties of Thiophene-2-carboxaldoxime: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.48; (6)ACD/BCF (pH 7.4): 9.48; (7)ACD/KOC (pH 5.5): 174.12; (8)ACD/KOC (pH 7.4): 174.04; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.83 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 34.75 cm3; (15)Molar Volume: 100.6 cm3; (16)Polarizability: 13.77×10-24cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Enthalpy of Vaporization: 47.47 kJ/mol; (19)Vapour Pressure: 0.101 mmHg at 25°C.
Uses of Thiophene-2-carboxaldoxime: it can be used to produce thiophene-2-carbonitrile. This reaction will need reagent 2,2'-oxalyldi(o-sulfobenzimide) (ODS) and solvent acetonitrile. The yield is about 83%.
You can still convert the following datas into molecular structure:
(1)SMILES: O\N=C\c1sccc1
(2)InChI: InChI=1/C5H5NOS/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4+
(3)InChIKey: GASLBPLHYRZLLT-GQCTYLIABI
(4)Std. InChI: InChI=1S/C5H5NOS/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4+
(5)Std. InChIKey: GASLBPLHYRZLLT-GQCTYLIASA-N