CAS No.5154-02-9,1,5-ISOQUINOLINEDIOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5154-02-9
Name:	1,5-ISOQUINOLINEDIOL
Article Data:	5

Formula:	C₉H₇NO₂
Molecular Weight:	161.16
Synonyms:	1,5-Isoquinolinediol(7CI,8CI);1,5-Dihydroxyisoquinoline;NSC 65585;
EINECS:	637-104-6
Density:	1.337 g/cm3
Melting Point:	270-275 °C
Boiling Point:	463.8 °C at 760 mmHg
Flash Point:	234.3 °C
Solubility:	DMSO: >36 mg/mL
Appearance:	White to off-white solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39

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Specification

The CAS register number of 1(2H)-Isoquinolinone,5-hydroxy- is 5154-02-9. It also can be called as 1,5-Dihydroxyisoquinoline and the systematic name about this chemical is 5-hydroxyisoquinolin-1(2H)-one. The molecular formula about this chemical is C₉H₇NO₂ and the molecular weight is 161.16.

Physical properties about 1(2H)-Isoquinolinone,5-hydroxy- are: (1)ACD/LogP: 1.15; (2)ACD/LogD (pH 5.5): 1.15; (3)ACD/LogD (pH 7.4): 1.12; (4)ACD/BCF (pH 5.5): 4.41; (5)ACD/BCF (pH 7.4): 4.11; (6)ACD/KOC (pH 5.5): 100.72; (7)ACD/KOC (pH 7.4): 93.86; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.639; (13)Molar Refractivity: 43.39 cm³; (14)Molar Volume: 120.5 cm³; (15)Polarizability: 17.2x10^-24cm³; (16)Surface Tension: 55.3 dyne/cm; (17)Density: 1.337 g/cm³; (18)Flash Point: 234.3 °C; (19)Enthalpy of Vaporization: 75.29 kJ/mol; (20)Boiling Point: 463.8 °C at 760 mmHg; (21)Vapour Pressure: 3.18E-09 mmHg at 25 °C.

Uses of 1(2H)-Isoquinolinone,5-hydroxy-: it can be used to produce 3,4-dihydro-5-hydroxy-1(2H)-isoquinolinone. This reaction will need reagent of H₂ and solvent of acetic acid. The reaction needs catalytic agent of 20 percent Pd/C. The reaction temperature is 50 °C and the yield is about 85%.

1(2H)-Isoquinolinone,5-hydroxy- can be used to produce 3,4-dihydro-5-hydroxy-1(2H)-isoquinolinone.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is hazardous to environment, do not put materials into the surroundings. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c2cccc(O)c2\C=C/N1
(2)Std. InChI: InChI=1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-5,11H,(H,10,12)
(3)Std. InChIKey: LFUJIPVWTMGYDG-UHFFFAOYSA-N