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Ethyl 3-(chlorosulfonyl)isonicotinate

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Name

Ethyl 3-(chlorosulfonyl)isonicotinate

EINECS N/A
CAS No. 306936-12-9 Density 1.437 g/cm3
PSA 81.71000 LogP 2.26660
Solubility N/A Melting Point N/A
Formula C8H8ClNO4S Boiling Point 376.721 °C at 760 mmHg
Molecular Weight 249.675 Flash Point 181.635 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 306936-12-9 (ETHYL 3-(CHLOROSULFONYL)ISONICOTINATE) Hazard Symbols CorrosiveC
Synonyms

Ethyl 3-(chlorosulphonyl)isonicotinate 95%;

 

Ethyl 3-(chlorosulfonyl)isonicotinate Specification

The Ethyl 3-(chlorosulfonyl)isonicotinate, with the CAS registry number 306936-12-9, is also known as Ethyl 3-(chlorosulphonyl)isonicotinate 95%. It belongs to the product category of Sulfonylhalide. This chemical's molecular formula is C8H8ClNO4S and molecular weight is 249.67. Its IUPAC name is called ethyl 3-chlorosulfonylpyridine-4-carboxylate.

Physical properties of Ethyl 3-(chlorosulfonyl)isonicotinate: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.835; (4)ACD/LogD (pH 7.4): 0.835; (5)ACD/BCF (pH 5.5): 2.537; (6)ACD/BCF (pH 7.4): 2.537; (7)ACD/KOC (pH 5.5): 67.77; (8)ACD/KOC (pH 7.4): 67.77; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.533; (13)Molar Refractivity: 53.943 cm3; (14)Molar Volume: 173.712 cm3; (15)Surface Tension: 49.89 dyne/cm; (16)Density: 1.437 g/cm3; (17)Flash Point: 181.635 °C; (18)Enthalpy of Vaporization: 62.44 kJ/mol; (19)Boiling Point: 376.721 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=C(C=NC=C1)S(=O)(=O)Cl
(2)InChI: InChI=1S/C8H8ClNO4S/c1-2-14-8(11)6-3-4-10-5-7(6)15(9,12)13/h3-5H,2H2,1H3
(3)InChIKey: USJWOJZNWZSBGK-UHFFFAOYSA-N

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