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Name |
7,10-Dichloro-2-methoxybenzo[b]-1,5-naphthyridine |
EINECS | 229-588-9 |
CAS No. | 6626-40-0 | Density | 1.453 g/cm3 |
PSA | 35.01000 | LogP | 4.09840 |
Solubility | N/A | Melting Point |
186-187 °C |
Formula | C13H8Cl2N2O | Boiling Point | 434 °C at 760 mmHg |
Molecular Weight | 279.125 | Flash Point | 216.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrido[3,2-b]quinoline,7,10-dichloro-2-methoxy- (5CI);7,10-Dichloro-2-methoxypyrido[3,2-b]quinoline;NSC 59862;7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine; |
Article Data | 10 |
The 7,10-Dichloro-2-methoxybenzo[b]-1,5-naphthyridine with the CAS number 6626-40-0 is also called Benzo[b]-1,5-naphthyridine,7,10-dichloro-2-methoxy-. Its EINECS registry number is 229-588-9. The molecular formula is C13H8Cl2N2O.
The properties of the chemical are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 68.34; (6)ACD/BCF (pH 7.4): 68.36; (7)ACD/KOC (pH 5.5): 715.84; (8)ACD/KOC (pH 7.4): 716.05; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.704; (14)Molar Refractivity: 74.58 cm3; (15)Molar Volume: 192 cm3; (16)Polarizability: 29.56×10-24cm3; (17)Surface Tension: 58.7; (18)Enthalpy of Vaporization: 66.34 kJ/mol; (19)Vapour Pressure: 2.48×10-7 mmHg at 25°C.
Uses: This chemical can react with phenol to product 7-chloro-2-methoxy-10-phenoxy-benzo[b][1,5]naphthyridine. This reaction needs reagent NaOH at temperature of 120 - 130 °C. The yield is 83%. This reaction is Substitution.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c3nc(OC)ccc3nc1cc(Cl)ccc12
(2)InChI: InChI=1/C13H8Cl2N2O/c1-18-11-5-4-9-13(17-11)12(15)8-3-2-7(14)6-10(8)16-9/h2-6H,1H3
(3)InChIKey: KHPZCNJKNIHKPI-UHFFFAOYAP
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00415, |