1-Chloroisoquinolin-4-ol supplier

Name
1-CHLORO-4-HYDROXYISOQUINOLINE 97
EINECS
CAS No. 3336-43-4
Article Data7
CAS DataBase
Density 1.412 g/cm³
Solubility
Melting Point 184-188 °C
Formula C₉H₆ClNO
Boiling Point 454.8 °C at 760 mmHg
Molecular Weight 179.606
Flash Point 228.9 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Chloro-4-hydroxyisoquinoline;
PSA 33.12000
LogP 2.59380

1-Chloroisoquinolin-4-ol 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

Product Name

1-CHLORO-4-HYDROXYISOQUINOLINE 97

1-Chloroisoquinolin-4-ol Specification

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