1-Oxo-1,2-dihydroisoquinoline-4-carbaldehyde supplier

Name
1-Oxo-1,2-dihydroisoquinoline-4-carbaldehyde
EINECS
CAS No. 63125-40-6
Article Data3
CAS DataBase
Density 1.367 g/cm³
Solubility
Melting Point 235-238 °C
Formula C₁₀H₇NO₂
Boiling Point 453.66 °C at 760 mmHg
Molecular Weight 173.171
Flash Point 218.262 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-isoquinolinecarboxaldehyde, 1,2-dihydro-1-oxo-
PSA 49.93000
LogP 1.34060

1-Oxo-1,2-dihydroisoquinoline-4-carbaldehyde Specification

The 1-Oxo-1,2-dihydroisoquinoline-4-carbaldehyde is an organic compound with the formula C₁₀H₇NO₂. The systematic name of this chemical is 1-oxo-1,2-dihydroisoquinoline-4-carbaldehyde. With the CAS registry number 63125-40-6, it is also named as 4-isoquinolinecarboxaldehyde, 1,2-dihydro-1-oxo-.

Physical properties about 1-Oxo-1,2-dihydroisoquinoline-4-carbaldehyde are: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 52; (7) ACD/KOC (pH 7.4): 52; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 46.17 Å²; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 48.114 cm³; (14)Molar Volume: 126.656 cm³; (15)Polarizability: 19.074×10^-24cm³; (16)Surface Tension: 64.399 dyne/cm; (17)Density: 1.367 g/cm³; (18)Flash Point: 218.262 °C; (19)Enthalpy of Vaporization: 71.31 kJ/mol; (20)Boiling Point: 453.66 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C1=C\NC(=O)c2ccccc12
(2)InChI: InChI=1/C10H7NO2/c12-6-7-5-11-10(13)9-4-2-1-3-8(7)9/h1-6H,(H,11,13)
(3)InChIKey: NQYUPIHTJCUWKA-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H7NO2/c12-6-7-5-11-10(13)9-4-2-1-3-8(7)9/h1-6H,(H,11,13)
(5)Std. InChIKey: NQYUPIHTJCUWKA-UHFFFAOYSA-N

Product Name

1-Oxo-1,2-dihydroisoquinoline-4-carbaldehyde

1-Oxo-1,2-dihydroisoquinoline-4-carbaldehyde Specification

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