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| CAS No.: | 6923-01-9 |
|---|---|
| Name: | IMIDAZOLE-D4 |
| Article Data: | 5 |
| Molecular Structure: | |
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|
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| Formula: | C3H4N2 |
| Molecular Weight: | 68.08 |
| Synonyms: | 1H-Imidazole-d4;T5M CNJ &&d4 [WLN];T5N CNJ AD BD DD ED [WLN];1H-Imidazole-1,2,4,5-d4;1H-Imidazole; |
| Density: | 1.182 g/cm3 |
| Melting Point: | 89-91 °C(lit.) |
| Boiling Point: | 257 °C at 760 mmHg |
| Flash Point: | 145 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 22-34 |
| Safety: | 22-26-36/37/39-45 |
| PSA: | 28.68000 |
| LogP: | 0.40970 |
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- Total:10 Page 1 of 1 1
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Specification
The 1H-Imidazole, with the CAS registry number 6923-01-9, has the systematic name of (2H4)-1H-imidazole. It belongs to the following product categories: Alphabetical Listings; Biomolecular NMR; Buffers and ReagentsStable Isotopes; I-LStable Isotopes; NMR - Buffers and Reagents; NMR Solvents and Reagents; Stable Isotopes. And the molecular formula of the chemical is C3H4N2.
The characteristics of 1H-Imidazole are as followings: (1)ACD/LogP: -0.10; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 28.68 Å2; (7)Index of Refraction: 1.528; (8)Molar Refractivity: 18.777 cm3; (9)Molar Volume: 60.98 cm3; (10)Polarizability: 7.444×10-24cm3; (11)Surface Tension: 48.625 dyne/cm; (12)Density: 1.182 g/cm3; (13)Flash Point: 145 °C; (14)Enthalpy of Vaporization: 47.456 kJ/mol; (15)Boiling Point: 257 °C at 760 mmHg; (16)Vapour Pressure: 0.024 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful if swallowed, and may cause burns. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [2H]c1nc([2H])n([2H])c1[2H]
(2)InChI: InChI=1/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/i1D,2D,3D/hD
(3)InChIKey: RAXXELZNTBOGNW-MSWVZFBTEP