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7296-20-0

Basic Information
CAS No.: 7296-20-0
Name: NEOCUPROINE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 7296-20-0 (NEOCUPROINE HYDROCHLORIDE)
Formula: C14H13ClN2
Molecular Weight: 244.72
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;
EINECS: 255-200-2
Density: 1.178g/cm3
Melting Point: 250 °C (dec.)(lit.)
Boiling Point: 367.4 °C at 760 mmHg
Flash Point: 159.7 °C
Solubility: H2O: 25 mg/mL, clear
Appearance: solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 38.33000
LogP: 4.26350
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  • Neocuproine hydrochloride 1-hydrate  CAS NO.7296-20-0

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    NEOCUPROINE HYDROCHLORIDE

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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