Thiophene-2-carboxaldoxime supplier

Name
THIOPHENE-2-CARBOXALDOXIME
EINECS 249-778-5
CAS No. 29683-84-9
Article Data61
CAS DataBase
Density 1.26g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Formylthiopheneoxime;2-Thiophenealdehyde oxime;2-Thiophenecarboxaldoxime;NSC 110538;Thiophene-2-aldoxime;
PSA 60.83000
LogP 1.55620

Thiophene-2-carboxaldoxime Specification

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

Product Name

THIOPHENE-2-CARBOXALDOXIME

Thiophene-2-carboxaldoxime Specification

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