CAS No.18851-33-7,1,10-PHENANTHROLINIUM CHLORIDE MONOHYDRATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18851-33-7
Name:	1,10-PHENANTHROLINIUM CHLORIDE MONOHYDRATE

Formula:	C₁₂H₁₁ClN₂O
Molecular Weight:	234.685
Synonyms:	1,10-Phenanthroline,monohydrochloride, monohydrate (8CI,9CI);o-Phenanthroline monohydrochloridemonohydrate;
EINECS:	223-325-1
Melting Point:	224-225 °C
Boiling Point:	365.1 °C at 760 mmHg
Flash Point:	164.8 °C
Solubility:	0.1 g/mL in water
Hazard Symbols:	T, N
Risk Codes:	25-50/53
Safety:	45-60-61
Transport Information:	UN 2811
PSA:	35.01000
LogP:	3.52070

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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