Ethyl 2-amino-5-bromothiazole-4-carboxylate supplier

Name
Ethyl 2-amino-5-bromothiazole-4-carboxylate
EINECS
CAS No. 61830-21-5
Article Data6
CAS DataBase
Density 1.731 g/cm³
Solubility
Melting Point 115-117 °C
Formula C₆H₇BrN₂O₂S
Boiling Point 357 °C at 760 mmHg
Molecular Weight 251.104
Flash Point 169.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-5-bromothiazole-4-carboxylic acid ethyl ester;4-Thiazolecarboxylic acid, 2-amino-5-bromo-, ethyl ester;Ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate;
PSA 93.45000
LogP 2.24570

Ethyl 2-amino-5-bromothiazole-4-carboxylate Specification

The Ethyl 2-amino-5-bromothiazole-4-carboxylate, with the CAS registry number 61830-21-5, has the systematic name of ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate. And the molecular formula of this chemical is C₆H₇BrN₂O₂S. It belongs to the following product categories: Sulphur Derivatives; Esters; Thiazoles, Isothiazoles & Benzothiazoles.

The physical properties of Ethyl 2-amino-5-bromothiazole-4-carboxylate are as following: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.15; (6)ACD/BCF (pH 7.4): 5.15; (7)ACD/KOC (pH 5.5): 112.42; (8)ACD/KOC (pH 7.4): 112.43; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 70.67 Å²; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 51.06 cm³; (15)Molar Volume: 145 cm³; (16)Polarizability: 20.24×10^-24cm³; (17)Surface Tension: 61.1 dyne/cm; (18)Density: 1.731 g/cm³; (19)Flash Point: 169.7 °C; (20)Enthalpy of Vaporization: 60.23 kJ/mol; (21)Boiling Point: 357 °C at 760 mmHg; (22)Vapour Pressure: 2.82E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1sc(nc1C(=O)OCC)N
(2)InChI: InChI=1/C6H7BrN2O2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3,(H2,8,9)
(3)InChIKey: TWGNDRMYYDZGFI-UHFFFAOYAI

Product Name

Ethyl 2-amino-5-bromothiazole-4-carboxylate

Ethyl 2-amino-5-bromothiazole-4-carboxylate Specification

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