Name: 7-BROMO-1-HYDROXYISOQUINOLINE
SKU: 223671-15-6

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Basic Information

Molecular Structure:
CAS No.:	223671-15-6
Name:	7-BROMO-1-HYDROXYISOQUINOLINE
Article Data:	13

Formula:	C₉H₆BrNO
Molecular Weight:	224.057
Synonyms:	7-Bromoisoquinolin-1-ol;
EINECS:	-0
Density:	1.62 g/cm³
Melting Point:	248-250 °C
Boiling Point:	427.5 °C at 760 mmHg
Flash Point:	212.4 °C
Solubility:	Slightly soluble in water.
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	26-36
PSA:	32.86000
LogP:	2.29060

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Specification

The 1(2H)-Isoquinolinone,7-bromo-, with the CAS registry number of 223671-15-6, is also known as 7-Bromoisoquinolin-1-ol. This chemical's molecular formula is C₉H₆BrNO and molecular weight is 224.05. What's more, its systematic name is 7-Bromoisoquinolin-1(2H)-one. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

Physical properties about the 1(2H)-Isoquinolinone,7-bromo- are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.39; (6)ACD/BCF (pH 7.4): 20.39; (7)ACD/KOC (pH 5.5): 301.19; (8)ACD/KOC (pH 7.4): 301.18; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 49.19 cm³; (15)Molar Volume: 138.2 cm³; (16)Surface Tension: 48.3 dyne/cm; (17)Density: 1.62 g/cm³; (18)Flash Point: 212.4 °C; (19)Enthalpy of Vaporization: 68.25 kJ/mol; (20)Boiling Point: 427.5 °C at 760 mmHg; (21)Vapour Pressure: 1.63E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc2\C=C/NC(=O)c2c1
(2) InChI: InChI=1/C9H6BrNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-5H,(H,11,12)
(3) InChIKey: DSOKREQUHLPVFR-UHFFFAOYAR