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| CAS No.: | 6142-90-1 |
|---|---|
| Name: | FURAN-D4 |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C4D4O |
| Molecular Weight: | 72.0434 |
| Synonyms: | Furan-d4(7CI,8CI,9CI);Perdeuteriofuran;Tetradeuteriofuran; |
| Density: | 0.998 g/cm3 |
| Boiling Point: | 31.4 °C at 760 mmHg |
| Flash Point: | −32 °F |
| Appearance: | colorless to light yellow liqui |
| Hazard Symbols: |
 F+, T
|
| Risk Codes: | 45-12-19-20/22-38-48/22-52/53-68 |
| Safety: | 53-45-61 |
| Transport Information: | UN 2389 |
| PSA: | 13.14000 |
| LogP: | 1.27960 |
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- Total:7 Page 1 of 1 1
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Specification
This chemical is called Furan-2,3,4,5-d4, and its CAS registry number is 6142-90-1. With the molecular formula of C4D4O, its product categories are Furan & Benzofuran; Alphabetical Listings; E-F; Stable Isotopes. In addition, this chemical should be sealed in the cool and dry place, away from oxides, light, water and fire.
Other characteristics of the Furan-2,3,4,5-d4 can be summarised as followings: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 6.58; (6)ACD/BCF (pH 7.4): 6.58; (7)ACD/KOC (pH 5.5): 134.11; (8)ACD/KOC (pH 7.4): 134.11; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 13.14 Å2; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 18.55 cm3; (15)Molar Volume: 72.2 cm3; (16)Polarizability: 7.35×10-24cm3; (17)Surface Tension: 24.8 dyne/cm; (18)Density: 0.998 g/cm3; (19)Flash Point: °C; (20)Enthalpy of Vaporization: 27.1 kJ/mol; (21)Boiling Point: 31.4 °C at 760 mmHg; (22)Vapour Pressure: 605 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is extremely flammable. It may form explosive peroxides. Avoid exposure - obtain special instructions before use. Moreover, it's harmful / irritating by inhalation and if swallowed, may cause cancer. For it's harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Avoid releasing to the environment. Refer to special instructions / safety data sheets. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
1.SMILES: [2H]c1oc([2H])c([2H])c1[2H]
2.InChI: InChI=1/C4H4O/c1-2-4-5-3-1/h1-4H/i1D,2D,3D,4D
3.InChIKey: YLQBMQCUIZJEEH-RHQRLBAQEJ