Imidazole, Sodium Derivative supplier

Name
IMIDAZOLE SODIUM DERIVATIVE
EINECS 226-988-5
CAS No. 5587-42-8
Article Data21
CAS DataBase
Density 1.116 g/cm³
Solubility
Melting Point 284 °C (dec.)(lit.)
Formula C₃H₄N₂Na
Boiling Point 257 °C at 760 mmHg
Molecular Weight 90.06
Flash Point 145 °C
Transport Information
Appearance Light yellow to orange free flowing crystalline
Safety 26-36/37/39-45
Risk Codes 20/21/22-34
Molecular Structure
Hazard Symbols C
Synonyms 1H-Imidazole,sodium salt (9CI);Imidazole, sodium salt (8CI);Sodium, imidazol-1-yl- (7CI);1-Sodioimidazole;Sodium imidazolate;Sodium imidazole;Sodium imidazolide;
PSA 17.82000
LogP 0.19550

Imidazole, Sodium Derivative 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

Product Name

IMIDAZOLE SODIUM DERIVATIVE

Imidazole, Sodium Derivative Specification

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