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Acetic acid,2-[(7-chloro-4-quinolinyl)thio]-, hydrazide

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Name

Acetic acid,2-[(7-chloro-4-quinolinyl)thio]-, hydrazide

EINECS N/A
CAS No. 306935-50-2 Density 1.45 g/cm3
PSA 93.31000 LogP 3.06140
Solubility N/A Melting Point 213 °C
Formula C11H10ClN3OS Boiling Point 529.6 °C at 760 mmHg
Molecular Weight 267.739 Flash Point 274.1 °C
Transport Information N/A Appearance N/A
Safety 36/37/39 -22-26 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 306935-50-2 (2-[(7-CHLOROQUINOLIN-4-YL)THIO]ACETOHYDRAZIDE) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

Aceticacid, [(7-chloro-4-quinolinyl)thio]-, hydrazide (9CI);2-[(7-Chloroquinolin-4-yl)thio]acetohydrazide;2-[(7-Chloroquinolin-4-yl)sulfanyl]acetohydrazide;

 

Acetic acid,2-[(7-chloro-4-quinolinyl)thio]-, hydrazide Specification

The Acetic acid,2-[(7-chloro-4-quinolinyl)thio]-, hydrazide, with the CAS registry number 306935-50-2, is also known as 2-[(7-Chloroquinolin-4-yl)thio]acetohydrazide. It belongs to the product category of Quinoline&Isoquinoline. This chemical's molecular formula is C11H10ClN3OS and molecular weight is 267.73. What's more, its systematic name is 2-[(7-Chloroquinolin-4-yl)sulfanyl]acetohydrazide. 

Physical properties of Acetic acid,2-[(7-chloro-4-quinolinyl)thio]-, hydrazide are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.52; (6)ACD/BCF (pH 7.4): 4.54; (7)ACD/KOC (pH 5.5): 102.41; (8)ACD/KOC (pH 7.4): 102.8; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 61.74 Å2; (13)Index of Refraction: 1.708; (14)Molar Refractivity: 71.59 cm3; (15)Molar Volume: 183.4 cm3; (16)Polarizability: 28.38×10-24 cm3; (17)Surface Tension: 73.3 dyne/cm; (18)Density: 1.45 g/cm3; (19)Flash Point: 274.1 °C; (20)Enthalpy of Vaporization: 80.47 kJ/mol; (21)Boiling Point: 529.6 °C at 760 mmHg; (22)Vapour Pressure: 2.66E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Also, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. What's more, you can't breathe dust .

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2nccc(SCC(=O)NN)c2cc1
(2)InChI: InChI=1S/C11H10ClN3OS/c12-7-1-2-8-9(5-7)14-4-3-10(8)17-6-11(16)15-13/h1-5H,6,13H2,(H,15,16)
(3)InChIKey: CSWAIRKDKKYBDU-UHFFFAOYSA-N

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