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1,10-Phenanthroline,2,9-dimethyl-, hydrochloride (1:1)

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Name

1,10-Phenanthroline,2,9-dimethyl-, hydrochloride (1:1)

EINECS 255-200-2
CAS No. 7296-20-0 Density 1.178g/cm3
PSA 38.33000 LogP 4.26350
Solubility H2O: 25 mg/mL, clear Melting Point 250 °C (dec.)(lit.)
Formula C14H13ClN2 Boiling Point 367.4 °C at 760 mmHg
Molecular Weight 244.72 Flash Point 159.7 °C
Transport Information N/A Appearance solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 7296-20-0 (NEOCUPROINE HYDROCHLORIDE) Hazard Symbols IrritantXi
Synonyms

1,10-Phenanthroline,2,9-dimethyl-, monohydrochloride (8CI,9CI);2,9-Dimethyl-1,10-diazaphenanthrenehydrochloride;Neocuproine, hydrochloride;1,10-Phenanthroline, 2,9-dimethyl-, monohydrochloride;2,9-Dimethyl-1,10-phenanthroline hydrochloride (1:1);2,9-dimethyl-1,10-phenanthroline hydrochloride;2,9-dimethylpyridino[3,2-h]quinoline, chloride;

 

1,10-Phenanthroline,2,9-dimethyl-, hydrochloride (1:1) Specification

The 1,10-Phenanthroline,2,9-dimethyl-, hydrochloride (1:1), with the CAS registry number 7296-20-0, is also known as 1,10-Phenanthroline, 2,9-dimethyl-, monohydrochloride. It belongs to the product categories of Analytical Chemistry; Chelating Reagents; Phenanthrolines. Its EINECS number is 230-732-8. This chemical's molecular formula is C14H13ClN2 and molecular weight is 244.72. What's more, its systematic name is 2,9-dimethyl-1,10-phenanthroline hydrochloride (1:1).

Physical properties of 1,10-Phenanthroline,2,9-dimethyl-, hydrochloride (1:1) are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 12; (6)ACD/BCF (pH 7.4): 62.76; (7)ACD/KOC (pH 5.5): 126.74; (8)ACD/KOC (pH 7.4): 662.93; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Flash Point: 159.7 °C; (14)Enthalpy of Vaporization: 58.98 kJ/mol; (15)Boiling Point: 367.4 °C at 760 mmHg; (16)Vapour Pressure: 2.89E-05 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. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Cl.n1c3c(ccc1C)ccc2ccc(nc23)C
(2)InChI: InChI=1/C14H12N2.ClH/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h3-8H,1-2H3;1H
(3)InChIKey: QUGBNSJLQDNNPK-UHFFFAOYAH

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