Ethyl (2-thenoyl)acetate - CAS 13669-10-8
Catalog: |
BB076870 |
Product Name: |
Ethyl (2-thenoyl)acetate |
CAS: |
13669-10-8 |
Synonyms: |
Ethyl 3-oxo-3-(thiophen-2-yl)propanoate; 3-Oxo-3-thiophen-2-yl-propionic acid ethyl ester; 2-Thiophenepropanoic acid, ethyl ester; NSC-80416; 2-Thiophenepropionic acid, ethyl ester; Ethyl 3-oxo-3-(2-thienyl)propanoate; 3-Oxo-3-(2-thienyl)propionic acid ethyl ester; 2-Thiophenepropanoic acid, β-oxo-, ethyl ester |
IUPAC Name: | ethyl 3-oxo-3-thiophen-2-ylpropanoate |
Molecular Weight: | 198.24 |
Molecular Formula: | C9H10O3S |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC=CS1 |
InChI: | InChI=1S/C9H10O3S/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5H,2,6H2,1H3 |
InChI Key: | VKSDKUXHVLZDHO-UHFFFAOYSA-N |
Boiling Point: | 291.0±15.0°C at 760 mmHg |
Melting Point: | 24°C |
Purity: | ≥95% |
Density: | 1.212±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Ethyl Ether |
Appearance: | White or Colorless to Light Yellow to Light Orange Powder to Lump to Clear Liquid |
Storage: | Store at RT |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.03506535 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.03506535 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 71.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
-
Catalog: BB050711
(5-Fluoro-2-thienyl)acetonitrile
Detail
-
Catalog: BB053599
(3-Imidazol-1-yl-propyl)-(5-methyl-thiophen-2-ylmethyl)-amine
Detail
-
Catalog: BB046213
(2-Methylphenyl)(thiophen-2-yl)methanone
Detail
-
Catalog: BB049320
(Z)-1,1,1-trifluoro-4-(5-methylthiophen-2-yl)-4-oxobut-2-en-2-olate Sodium
Detail
-
Catalog: BB047820
1-(2-Chlorobenzyl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine
Detail
-
Catalog: BB008323
(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2,2-Di(2-thienyl)glycolate
Detail
-
Catalog: BB047542
(3-Methyl-4-thien-2-YL-1H-pyrazolo[3,4-B]pyridin-1-YL)acetic acid
Detail
-
Catalog: BB046244
(5E)-3-(2-Methylpropyl)-2-sulfanyl-5-(thiophen-2-ylmethylidene)-3,5-dihydro-4H-imidazol-4-one
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Thiophenes
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS