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3,4-Dihydroisoquinoline-6,7-diol

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Name

3,4-Dihydroisoquinoline-6,7-diol

EINECS N/A
CAS No. 4602-83-9 Density 1.36 g/cm3
PSA 52.82000 LogP 0.50840
Solubility N/A Melting Point 244-248 °C
Formula C9H9NO2 Boiling Point 396.4 °C at 760 mmHg
Molecular Weight 163.176 Flash Point 254 °C
Transport Information N/A Appearance yellow to brownish crystalline powder or flakes
Safety 36/37/39-26 Risk Codes 36/37/38-21/22
Molecular Structure Molecular Structure of 4602-83-9 (6,7-DIHYDROXY-3,4-DIHYDROISOQUINOLINE) Hazard Symbols HarmfulXn
Synonyms

3,4-Dihydro-6,7-dihydroxyisoquinoline;3,4-Dihydro-6,7-isoquinolinediol;

Article Data 6

3,4-Dihydroisoquinoline-6,7-diol Specification

This chemical is called 3,4-Dihydroisoquinoline-6,7-diol, and it can also be named as6,7-isoquinolinediol, 3,4-dihydro-. With the molecular formula of C9H9NO2, its molecular weight is 163.17. The CAS registry number of this chemical is 4602-83-9. Additionally, this chemical is yellow to brownish crystalline powder or flakes.

Other characteristics of the 3,4-Dihydroisoquinoline-6,7-diol can be summarised as followings: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.43; (7)ACD/KOC (pH 5.5): 16.74; (8)ACD/KOC (pH 7.4): 44.04; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.82 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 43.67 cm3; (15)Molar Volume: 119.6 cm3; (16)Polarizability: 17.31×10-24cm3; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 254 °C; (20)Enthalpy of Vaporization: 67.19 kJ/mol; (21)Boiling Point: 396.4 °C at 760 mmHg; (22)Vapour Pressure: 7.51E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Oc1cc2/C=N\CCc2cc1O
2.InChI: InChI=1/C9H9NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-5,11-12H,1-2H2
3.InChIKey: PWCQVMIYUGOTLG-UHFFFAOYAH

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