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60845-81-0

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Basic Information
CAS No.: 60845-81-0
Name: EHATA
Article Data: 9
Molecular Structure:
Molecular Structure of 60845-81-0 (EHATA)
Formula: C7H9 N3 O3 S
Molecular Weight: 215.233
Synonyms: Ethyl2-(2-amino-4-thiazolyl)-2-(hydroxyimino)acetate; Ethyl 2-amino-a-(hydroxyimino)-4-thiazoleacetate
Density: 1.56±0.1 g/cm3(Predicted)
Melting Point: 195-197 °C(lit.)
Boiling Point: 426.8±37.0 °C(Predicted)
Flash Point: 211.9oC
Hazard Symbols: Xi
Risk Codes: R36/37/38
PSA: 126.04000
LogP: 1.04790
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Chemistry

Molecular Structure of Ethyl 2-amino-alpha-(hydroxyimino)thiazol-4-acetate (CAS No.60845-81-0):
 
Molecular Formula: C7H9N3O3S
Molecular Weight: 215.23
IUPAC Name: Ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate 
CAS No: 60845-81-0
H bond acceptors: 6
H bond donors: 3
Freely Rotating Bonds: 5
Polar Surface Area: 92.26 Å2
Index of Refraction: 1.662
Molar Refractivity: 50.99 cm3
Molar Volume: 137.6 cm3
Surface Tension: 63.7 dyne/cm
Density: 1.56 g/cm3
Flash Point: 211.9 °C
Enthalpy of Vaporization: 71.86 kJ/mol
Boiling Point: 426.8 °C at 760 mmHg
Melting Point: 195-197 °C(lit.)
Vapour Pressure: 4.8E-08 mmHg at 25°C
InChI: InChI=1/C7H9N3O3S/c1-2-13-6(11)5(10-12)4-3-14-7(8)9-4/h3,12H,2H2,1H3,(H2,8,9)/b10-5-
InChIKey: BTEPYCPXBCCSDL-YHYXMXQVBG
Std. InChI: InChI=1S/C7H9N3O3S/c1-2-13-6(11)5(10-12)4-3-14-7(8)9-4/h3,12H,2H2,1H3,(H2,8,9)/b10-5-
Std. InChIKey: BTEPYCPXBCCSDL-YHYXMXQVSA-N

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3

Specification

   Ethyl 2-amino-alpha-(hydroxyimino)thiazol-4-acetate (CAS No.60845-81-0), it
also can be called Ethyl (Z)-2-amino-alpha-(hydroxyimino)thiazol-4-acetate .