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Furan-2,3,4,5-d4

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Name

Furan-2,3,4,5-d4

EINECS N/A
CAS No. 6142-90-1 Density 0.998 g/cm3
PSA 13.14000 LogP 1.27960
Solubility N/A Melting Point N/A
Formula C4D4O Boiling Point 31.4 °C at 760 mmHg
Molecular Weight 72.0434 Flash Point −32 °F
Transport Information UN 2389 Appearance colorless to light yellow liqui
Safety 53-45-61 Risk Codes 45-12-19-20/22-38-48/22-52/53-68
Molecular Structure Molecular Structure of 6142-90-1 (FURAN-D4) Hazard Symbols HighlyF+,ToxicT
Synonyms

Furan-d4(7CI,8CI,9CI);Perdeuteriofuran;Tetradeuteriofuran;

Article Data 3

Furan-2,3,4,5-d4 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

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