1-Chloro-5-nitroisoquinoline supplier

Name
1-chloro-5-nitro-isoquinoline
EINECS
CAS No. 58142-97-5
Density 1.484 g/cm³
Solubility
Melting Point 183-184 °C
Formula C₉H₅ClN₂O₂
Boiling Point 376.8 °C at 760 mmHg
Molecular Weight 208.604
Flash Point 181.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Chloro-5-nitroisoquinoline;isoquinoline, 1-chloro-5-nitro-
PSA 58.71000
LogP 3.31960

1-Chloro-5-nitroisoquinoline Specification

The 1-Chloro-5-nitroisoquinoline has CAS registry number 58142-97-5. This chemical's molecular formula is C₉H₅ClN₂O₂ and molecular weight is 208.604. What's more, its systematic name is called 1-Chloro-5-nitroisoquinoline.

Physical properties about 1-Chloro-5-nitroisoquinoline are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.48; (6)ACD/BCF (pH 7.4): 36.48; (7)ACD/KOC (pH 5.5): 456.83; (8)ACD/KOC (pH 7.4): 456.83; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å²; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 53.62 cm³; (15)Molar Volume: 140.5 cm³; (16)Surface Tension: 63.3 dyne/cm; (17)Density: 1.484 g/cm³; (18)Flash Point: 181.7 °C; (19)Enthalpy of Vaporization: 60 kJ/mol; (20)Boiling Point: 376.8 °C at 760 mmHg; (21)Vapour Pressure: 1.53E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2c1ccnc(Cl)c1ccc2
(2) InChI: InChI=1/C9H5ClN2O2/c10-9-7-2-1-3-8(12(13)14)6(7)4-5-11-9/h1-5H
(3) InChIKey: ABMIIJPKPFSMLK-UHFFFAOYAZ

Product Name

1-chloro-5-nitro-isoquinoline

1-Chloro-5-nitroisoquinoline Specification

Related Products

Hot Products