CAS No.64987-03-7,ETHYL 2-(2-FORMYLAMINO-1,3-THIAZOL-4-YL)-2-OXOACETATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	64987-03-7
Name:	ETHYL 2-(2-FORMYLAMINO-1,3-THIAZOL-4-YL)-2-OXOACETATE
Article Data:	7

Formula:	C₈H₈N₂O₄S
Molecular Weight:	228.229
Synonyms:	Ethyl2-(2-formylamino-1,3-thiazol-4-yl)-2-oxoacetate;
EINECS:	265-299-4
Density:	1.454 g/cm³
Melting Point:	232-234 °C
Boiling Point:	381.313 °C at 760 mmHg
Flash Point:	184.412 °C
Appearance:	light yellow powder
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-36/37/39
PSA:	113.60000
LogP:	1.16610

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Specification

The Ethyl 2-(formylamino)-4-thiazoleglyoxylate, with the CAS registry number 64987-03-7, has the IUPAC name of ethyl 2-(2-formamido-1,3-thiazol-4-yl)-2-oxoacetate. Being a kind of light yellow powder, it also has the systematic name of ethyl 2-(2-formamidothiazol-4-yl)-2-oxo-acetate.

The physical properties of this chemical are as follows: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.173; (4)ACD/LogD (pH 7.4): 1.098; (5)ACD/BCF (pH 5.5): 4.586; (6)ACD/BCF (pH 7.4): 3.856; (7)ACD/KOC (pH 5.5): 103.46; (8)ACD/KOC (pH 7.4): 86.993; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 113.6; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 53.593 cm³; (15)Molar Volume: 156.937 cm³; (16)Polarizability: 21.246 ×10^-24 cm³; (17)Surface Tension: 62.825 dyne/cm; (18)Density: 1.454 g/cm³; (19)Flash Point: 184.412 °C; (20)Enthalpy of Vaporization: 62.958 kJ/mol; (21)Boiling Point: 381.313 °C at 760 mmHg; (22)Exact Mass: 228.020477; (23)MonoIsotopic Mass: 228.020477; (24)Topological Polar Surface Area: 114; (25)Heavy Atom Count: 15; (26)Complexity: 271.

When you are dealing with this chemical, you should be careful. For being a kind of harmful chemical, it may cause damage to health, and it is also irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: CCOC(=O)C(=O)C1=CSC(=N1)NC=O
(2)InChI: InChI=1S/C8H8N2O4S/c1-2-14-7(13)6(12)5-3-15-8(10-5)9-4-11/h3-4H,2H2,1H3,(H,9,10,11)
(3)InChIKey: NTACMHVXGGGRQU-UHFFFAOYSA-N