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CAS No.: | 138380-43-5 |
---|---|
Name: | 2-THIOPHENEGLYOXAL HYDRATE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H6O3S |
Molecular Weight: | 158.178 |
Synonyms: | 2-(2,2-Dihydroxy-1-oxoethyl)thiophene; |
Boiling Point: | 309.1 °C at 760 mmHg |
Flash Point: | 140.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 71.61000 |
LogP: | 1.06540 |
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The Ethanone,2,2-dihydroxy-1-(2-thienyl)- is an organic compound with the formula C6H6O3S. The systematic name of this chemical is oxo(thiophen-2-yl)acetaldehyde hydrate. With the CAS registry number 138380-43-5, it is also named as 2-thiopheneacetaldehyde, α-oxo-, hydrate (1:1).
Physical properties about Ethanone,2,2-dihydroxy-1-(2-thienyl)- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 8.45; (4)ACD/KOC (pH 7.4): 8.45; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 62.38 Å2; (9)Flash Point: 140.7 °C; (10)Enthalpy of Vaporization: 58.05 kJ/mol; (11)Boiling Point: 309.1 °C at 760 mmHg; (12)Vapour Pressure: 0.000282 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. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O.O=CC(=O)c1cccs1
(2)InChI: InChI=1/C6H4O2S.H2O/c7-4-5(8)6-2-1-3-9-6;/h1-4H;1H2
(3)InChIKey: XVUUXSJGTMJGAX-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H4O2S.H2O/c7-4-5(8)6-2-1-3-9-6;/h1-4H;1H2
(5)Std. InChIKey: XVUUXSJGTMJGAX-UHFFFAOYSA-N