Basic information
- Name:
IMIDAZOLE-D4
- Superlist Name:
- 1H-Imidazole
- CAS No.:
6923-01-9
- Molecular Structure:
- 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 Description:
- 22-26-36/37/39-45 Details
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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
