Basic Information | Post buying leads | Suppliers |
Name |
1,3,7-Trichloroisoquinoline |
EINECS | N/A |
CAS No. | 21902-41-0 | Density | 1.523 g/cm3 |
PSA | 12.89000 | LogP | 4.19500 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H4Cl3N | Boiling Point | 362.6 °C at 760 mmHg |
Molecular Weight | 232.496 | Flash Point | 204.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,3,7-Trichloroisoquinoline; |
The CAS register number of 1,3,7-Trichloroisoquinoline is 21902-41-0. It also can be called as Isoquinoline,1,3,7-trichloro- and the systematic name about this chemical is 1,3,6-trichloroisoquinoline.
Physical properties about 1,3,7-Trichloroisoquinoline are: (1)ACD/LogP: 3.81; (2)ACD/LogD (pH 5.5): 3.81; (3)ACD/LogD (pH 7.4): 3.81; (4)#H bond acceptors: 1; (5)Polar Surface Area: 12.89Å2; (6)Index of Refraction: 1.667; (7)Molar Refractivity: 56.87 cm3; (8)Molar Volume: 152.6 cm3; (9)Polarizability: 22.54x10-24cm3; (10)Surface Tension: 53.5 dyne/cm; (11)Enthalpy of Vaporization: 58.46 kJ/mol; (12)Boiling Point: 362.6 °C at 760 mmHg; (13)Vapour Pressure: 3.99E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)cc(nc2Cl)Cl
(2)InChI: InChI=1/C9H4Cl3N/c10-6-1-2-7-5(3-6)4-8(11)13-9(7)12/h1-4H
(3)InChIKey: IQEHNPFLYOSKCB-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H4Cl3N/c10-6-1-2-7-5(3-6)4-8(11)13-9(7)12/h1-4H
(5)Std. InChIKey: IQEHNPFLYOSKCB-UHFFFAOYSA-N