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1,10-Phenanthroline, hydrochloride, hydrate (1:1:1)

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Name

1,10-Phenanthroline, hydrochloride, hydrate (1:1:1)

EINECS 223-325-1
CAS No. 18851-33-7 Density N/A
PSA 35.01000 LogP 3.52070
Solubility 0.1 g/mL in water Melting Point 224-225 °C
Formula C12H11ClN2O Boiling Point 365.1 °C at 760 mmHg
Molecular Weight 234.685 Flash Point 164.8 °C
Transport Information UN 2811 Appearance N/A
Safety 45-60-61 Risk Codes 25-50/53
Molecular Structure Molecular Structure of 18851-33-7 (1,10-PHENANTHROLINIUM CHLORIDE MONOHYDRATE) Hazard Symbols ToxicT, DangerousN
Synonyms

1,10-Phenanthroline,monohydrochloride, monohydrate (8CI,9CI);o-Phenanthroline monohydrochloridemonohydrate;

 

1,10-Phenanthroline, hydrochloride, hydrate (1:1:1) Specification

The 1, 10-Phenanthroline, hydrochloride, hydrate (1:1:1), with the CAS registry number 18851-33-7, is also known as 1, 10-Phenanthrolinium chloride monohydrate. Its EINECS registry number is 223-325-1. This chemical's molecular formula is C12H11ClN2O and molecular weight is 234.68. What's more, its systematic name is 1, 10-Phenanthroline hydrochloride hydrate.

Physical properties about 1, 10-Phenanthroline, hydrochloride, hydrate (1:1:1) are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 9.13; (6)ACD/BCF (pH 7.4): 13.19; (7)ACD/KOC (pH 5.5): 152.43; (8)ACD/KOC (pH 7.4): 220.22; (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: 164.8 °C; (14)Enthalpy of Vaporization: 58.73 kJ/mol; (15)Boiling Point: 365.1 °C at 760 mmHg; (16)Vapour Pressure: 3.38E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is toxic if swallowed. In addition, this material and its container must be disposed of as hazardous waste. Besides, this chemical is very toxic to aquatic organisms, and it may cause long-term adverse effects in the aquatic environment. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O.n1c3c(ccc1)ccc2cccnc23
(2) InChI: InChI=1/C12H8N2.ClH.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-8H;1H;1H2
(3) InChIKey: NDLHUHRGAIHALB-UHFFFAOYAG

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