Acetyl chloride,2-(4-pyridinylthio)- supplier

Name
4-PYRIDYL THIOACETYL CHLORIDE
EINECS 258-287-5
CAS No. 52998-13-7
Density 1.35g/cm³
Solubility
Melting Point
Formula C₇H₆ClNOS
Boiling Point 279.5 °C at 760 mmHg
Molecular Weight 171.6466
Flash Point 122.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (4-Pyridylthio)acetyl chloride;(Pyridin-4-ylsulfanyl)acetyl chloride;
PSA 44.98000
LogP 2.19030

Acetyl chloride,2-(4-pyridinylthio)- Specification

The Acetyl chloride,2-(4-pyridinylthio)-, with the CAS registry number 52998-13-7, is also known as (4-Pyridylthio)acetyl chloride and (Pyridin-4-ylsulfanyl)acetyl chloride. This chemical's molecular formula is C₇H₆ClNOS and molecular weight is 187.6466. What's more, its IUPAC name is called 2-Pyridin-4-ylsulfanylacetyl chloride.

Physical properties about Acetyl chloride,2-(4-pyridinylthio)- are: (1)ACD/LogP: 1.15; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 4.13; (6)ACD/BCF (pH 7.4): 4.42; (7)ACD/KOC (pH 5.5): 94.25; (8)ACD/KOC (pH 7.4): 100.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.26 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 46.77 cm³; (15)Molar Volume: 138.5 cm³; (16)Surface Tension: 54 dyne/cm; (17)Density: 1.35 g/cm³; (18)Flash Point: 122.8 °C; (19)Enthalpy of Vaporization: 51.82 kJ/mol; (20)Boiling Point: 279.5 °C at 760 mmHg; (21)Vapour Pressure: 0.004 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)CSc1ccncc1
(2) InChI: InChI=1/C7H6ClNOS/c8-7(10)5-11-6-1-3-9-4-2-6/h1-4H,5H2
(3) InChIKey: IVRIXACFKSSWNB-UHFFFAOYAR

Product Name

4-PYRIDYL THIOACETYL CHLORIDE

Acetyl chloride,2-(4-pyridinylthio)- Specification

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