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CAS No.: | 375-02-0 |
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Name: | HEPTAFLUOROBUTYRALDEHYDE HYDRATE, TECH. |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C4HF7O |
Molecular Weight: | 198.04 |
Synonyms: | Heptafluorobutyraldehyde;Perfluorobutyraldehyde;Butanal,heptafluoro- (9CI);Butyraldehyde, heptafluoro- (6CI,7CI,8CI); |
EINECS: | 206-783-7 |
Density: | 1.521 g/cm3 |
Melting Point: | 61°C |
Boiling Point: | 95-96°C |
Flash Point: | 32.6°C |
Appearance: | colorless Solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 40.46000 |
LogP: | 1.13000 |
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The Butanal,2,2,3,3,4,4,4-heptafluoro-, with the CAS registry number 375-02-0, has the systematic name 2,2,3,3,4,4,4-heptafluorobutanal. Its molecular formula is C4HF7O and its molecular weight is 198.039. Additionally, its EINECS is 206-783-7.
Other characteristics of the Butanal,2,2,3,3,4,4,4-heptafluoro- can be summarised as followings: (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.06; (4)ACD/LogD (pH 7.4): 4.06; (5)ACD/BCF (pH 5.5): 721.09; (6)ACD/BCF (pH 7.4): 721.09; (7)ACD/KOC (pH 5.5): 3866.79; (8)ACD/KOC (pH 7.4): 3866.79; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.266; (14)Molar Refractivity: 21.81 cm3; (15)Molar Volume: 130.1 cm3; (16)Polarizability: 8.64×10-24cm3; (17)Surface Tension: 14 dyne/cm; (18)Density: 1.521 g/cm3; (19)Flash Point: °C; (20)Enthalpy of Vaporization: 24.73 kJ/mol; (21)Boiling Point: °C at 760 mmHg; (22)Vapour Pressure: 2060 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(C(F)(F)F)C(F)(F)C=O
2.InChI: InChI=1/C4HF7O/c5-2(6,1-12)3(7,8)4(9,10)11/h1H
3.InChIKey: IQJZGNJYXIIMGP-UHFFFAOYAN