CAS No.5587-42-8,IMIDAZOLE SODIUM DERIVATIVE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5587-42-8
Name:	IMIDAZOLE SODIUM DERIVATIVE
Article Data:	21

Formula:	C₃H₄N₂Na
Molecular Weight:	90.06
Synonyms:	1H-Imidazole,sodium salt (9CI);Imidazole, sodium salt (8CI);Sodium, imidazol-1-yl- (7CI);1-Sodioimidazole;Sodium imidazolate;Sodium imidazole;Sodium imidazolide;
EINECS:	226-988-5
Density:	1.116 g/cm³
Melting Point:	284 °C (dec.)(lit.)
Boiling Point:	257 °C at 760 mmHg
Flash Point:	145 °C
Appearance:	Light yellow to orange free flowing crystalline
Hazard Symbols:	C
Risk Codes:	20/21/22-34
Safety:	26-36/37/39-45
PSA:	17.82000
LogP:	0.19550

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Specification

The 1H-Imidazole, sodiumsalt (1:1), with the CAS registry number 5587-42-8, is also known as Sodium imidazolide. Its EINECS number is 226-988-5. This chemical's molecular formula is C₃H₄N₂Na and molecular weight is 90.06. What's more, its systematic name is sodium imidazol-3-ide. It should be sealed and stored in a cool and dry place. What's more, it should be protected from water and wet air.

Physical properties of 1H-Imidazole, sodiumsalt (1:1) are: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.04; (4)ACD/LogD (pH 7.4): -2.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 21.06 Å²; (13)Flash Point: 168.9 °C; (14)Enthalpy of Vaporization: 55.42 kJ/mol; (15)Boiling Point: 313.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000506 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It can cause burns. 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, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc[n-]1.[Na+]
(2)InChI: InChI=1S/C3H3N2.Na/c1-2-5-3-4-1;/h1-3H;/q-1;+1
(3)InChIKey: ITAWMPSVROAMOE-UHFFFAOYSA-N