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The 9-Amino-6-chloro-2-methoxyacridine, with the CAS registry number 3548-09-2, is also known as 2-Methoxy-6-chloro-9-aminoacridine. It belongs to the product category of API intermediates. This chemical's molecular formula is C14H11ClN2O and molecular weight is 258.7. What's more, its IUPAC name is 6-chloro-2-methoxyacridin-9-amine. Its classification codes are: (1)Coloring Agents; (2)Drug/Therapeutic Agent; (3)Fluorescent dyes; (4)Indicators and Reagents; (5)Intercalating agents; (6)Luminescent Agents. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light. Its storage temperature is −20°C.
Physical properties of 9-Amino-6-chloro-2-methoxyacridine are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.97; (7)ACD/KOC (pH 5.5): 4.24; (8)ACD/KOC (pH 7.4): 42.69; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.36 Å2; (13)Index of Refraction: 1.734; (14)Molar Refractivity: 75.83 cm3; (15)Molar Volume: 189.1 cm3; (16)Surface Tension: 60.5 dyne/cm; (17)Density: 1.367 g/cm3; (18)Flash Point: 241.2 °C; (19)Enthalpy of Vaporization: 73.86 kJ/mol; (20)Boiling Point: 475.1 °C at 760 mmHg; (21)Vapour Pressure: 3.4E-09 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. It has a limited evidence of a carcinogenic effect. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)N
(2)InChI: InChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17)
(3)InChIKey: IHHSSHCBRVYGJX-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 110mg/kg (110mg/kg) | British Journal of Experimental Pathology. Vol. 28, Pg. 1, 1947. |