CAS No.3336-43-4,1-CHLORO-4-HYDROXYISOQUINOLINE 97 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3336-43-4
Name:	1-CHLORO-4-HYDROXYISOQUINOLINE 97
Article Data:	7

Formula:	C₉H₆ClNO
Molecular Weight:	179.606
Synonyms:	1-Chloro-4-hydroxyisoquinoline;
Density:	1.412 g/cm³
Melting Point:	184-188 °C
Boiling Point:	454.8 °C at 760 mmHg
Flash Point:	228.9 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	33.12000
LogP:	2.59380

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Specification

The 4-Isoquinolinol,1-chloro-, with the CAS registry number 3336-43-4, is also known as 1-Chloro-4-hydroxyisoquinoline. It belongs to the product categories of Halogenated Heterocycles; Heterocyclic Building Blocks; Isoquinolines; Isoquinolines Building Blocks. This chemical's molecular formula is C₉H₆ClNO and molecular weight is 179.605. What's more, its systematic name is 1-chloroisoquinolin-4-ol. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place.

Physical properties of 4-Isoquinolinol,1-chloro- are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 22.12 Å²; (7)Index of Refraction: 1.696; (8)Molar Refractivity: 48.96 cm³; (9)Molar Volume: 127.1 cm³; (10)Surface Tension: 61.5 dyne/cm; (11)Density: 1.412 g/cm³; (12)Flash Point: 228.9 °C; (13)Enthalpy of Vaporization: 74.19 kJ/mol; (14)Boiling Point: 454.8 °C at 760 mmHg; (15)Vapour Pressure: 6.83E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
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.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncc(O)c1ccccc12
(2)InChI: InChI=1S/C9H6ClNO/c10-9-7-4-2-1-3-6(7)8(12)5-11-9/h1-5,12H
(3)InChIKey: JEVLGPVFFYUBRI-UHFFFAOYSA-N