Ethyl 3-anilinobut-2-enoate supplier

Name
Ethyl 3-anilinobut-2-enoate
EINECS 228-518-4
CAS No. 6287-35-0
Article Data117
CAS DataBase
Density 1.089 g/cm³
Solubility
Melting Point 118-119°C 2mm
Formula C₁₂H₁₅NO₂
Boiling Point 308.3 °C at 760 mmHg
Molecular Weight 205.257
Flash Point 140.3 °C
Transport Information
Appearance oily liquid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Crotonicacid, 3-anilino-, ethyl ester (8CI);Ethyl 3-(phenylamino)-2-butenoate;Ethyl3-(phenylamino)crotonate;Ethyl 3-anilino-2-butenoate;Ethyl3-anilinocrotonate;Ethyl b-anilinocrotonate;NSC 8741;
PSA 38.33000
LogP 2.63840

Ethyl 3-anilinobut-2-enoate Specification

This chemical is called Ethyl 3-anilinobut-2-enoate, and it can also be named as 2-butenoic acid, 3-(phenylamino)-, ethyl ester. With the molecular formula of C₁₂H₁₅NO₂, its molecular weight is 205.25. The CAS registry number of this chemical is 6287-35-0. However, please avoid contacting with skin and eyes when you use it.

Other characteristics of the Ethyl 3-anilinobut-2-enoate can be summarised as followings: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 25.81; (6)ACD/BCF (pH 7.4): 25.81; (7)ACD/KOC (pH 5.5): 356.56; (8)ACD/KOC (pH 7.4): 356.57; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 60.7 cm³; (15)Molar Volume: 188.3 cm³; (16)Polarizability: 24.06×10^-24cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.089 g/cm³; (19)Flash Point: 140.3 °C; (20)Enthalpy of Vaporization: 54.9 kJ/mol; (21)Boiling Point: 308.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000685 mmHg at 25°C.

Uses of this chemical: The Ethyl 3-anilinobut-2-enoate could react with carbonochloridic hypochlorous thioanhydride, and obtain the 4-methyl-2-oxo-3-phenyl-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester. This reaction needs the solvent of tetrahydrofuran. The yield is 57 %. The other condition is heating.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)C=C(Nc1ccccc1)C
2.InChI: InChI=1/C12H15NO2/c1-3-15-12(14)9-10(2)13-11-7-5-4-6-8-11/h4-9,13H,3H2,1-2H3
3.InChIKey: NLGDIRPNWGZGLI-UHFFFAOYAP

Product Name

Ethyl 3-anilinobut-2-enoate

Ethyl 3-anilinobut-2-enoate Specification

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