1-Phenylisoquinoline supplier

Name
Phenylisoquinoline
EINECS
CAS No. 3297-72-1
Article Data139
CAS DataBase
Density 1.127 g/cm³
Solubility
Melting Point 96 °C
Formula C₁₅H₁₁N
Boiling Point 347.6 °C at 760 mmHg
Molecular Weight 205.259
Flash Point 152.2 °C
Transport Information
Appearance
Safety
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xn
Synonyms 1-Phenylisoquinoline;
PSA 12.89000
LogP 3.90180

1-Phenylisoquinoline Specification

The Isoquinoline, 1-phenyl- has the CAS registry number 3297-72-1. It belongs to the product categoryof API intermediates. This chemical's molecular formula is C₁₅H₁₁N and molecular weight is 205.25. What's more, its systematic name is 1-phenylisoquinoline.

Physical properties of Isoquinoline, 1-phenyl- are: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 435.55; (6)ACD/BCF (pH 7.4): 504.95; (7)ACD/KOC (pH 5.5): 2583.04; (8)ACD/KOC (pH 7.4): 2994.58; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 66.77 cm³; (15)Molar Volume: 182 cm³; (16)Polarizability: 26.47×10^-24cm³; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.127 g/cm³; (19)Flash Point: 152.2 °C; (20)Enthalpy of Vaporization: 56.85 kJ/mol; (21)Boiling Point: 347.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000107 mmHg at 25°C.

Preparation: this chemical can be prepared by N-oxy phenyl-1 dihydro-3,4-isoquinoleine. This reaction will need reagents chlorure de p-toluene sulfonyle, NaOH and solvents benzene, H₂O with the reaction time of 22 hours. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=NC=CC3=CC=CC=C32
(2)InChI: InChI=1S/C15H11N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-11H
(3)InChIKey: LPCWDYWZIWDTCV-UHFFFAOYSA-N

Product Name

Phenylisoquinoline

1-Phenylisoquinoline Specification

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