Ethanone,2,2-dihydroxy-1-(2-thienyl)- supplier

Name
2-THIOPHENEGLYOXAL HYDRATE
EINECS
CAS No. 138380-43-5
Article Data4
CAS DataBase
Density
Solubility
Melting Point
Formula C₆H₆O₃S
Boiling Point 309.1 °C at 760 mmHg
Molecular Weight 158.178
Flash Point 140.7 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(2,2-Dihydroxy-1-oxoethyl)thiophene;
PSA 71.61000
LogP 1.06540

Ethanone,2,2-dihydroxy-1-(2-thienyl)- Specification

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

Product Name

2-THIOPHENEGLYOXAL HYDRATE

Ethanone,2,2-dihydroxy-1-(2-thienyl)- Specification

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