CAS No.65872-43-7,2-(2-Formamidothiazole-4-yl)-2-methoxyimino acetic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	65872-43-7
Name:	2-(2-Formamidothiazole-4-yl)-2-methoxyimino acetic acid
Article Data:	4

Formula:	C₇H₇N₃O₄S
Molecular Weight:	229.216
Synonyms:	4-Thiazoleaceticacid, 2-(formylamino)-a-(methoxyimino)-, (Z)-;(Z)-2-(2-Formylamino-4-thiazolyl)-2-(methoxyimino)aceticacid;(2Z)-[2-(formylamino)-1,3-thiazol-4-yl](methoxyimino)ethanoic acid;
EINECS:	265-958-6
Density:	1.6 g/cm³
Melting Point:	163 °C (dec.)(lit.)
Boiling Point:	438.5 °C at 760 mmHg
Flash Point:	219 °C
Appearance:	Off-white solid.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	129.12000
LogP:	0.85540

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Specification

The 2-(2-Formamidothiazole-4-yl)-2-methoxyimino acetic acid, with the CAS number 65872-43-7, is also called 4-Thiazoleacetic acid,2-(formylamino)-a-(methoxyimino)-,(aZ)-. The IUPAC name is (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid. Its EINECS registry number is 265-958-6. The molecular formula is C₇H₇N₃O₄S. This chemical should be stored at 2-8°C.

The properties of the chemical are: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.61; (4)ACD/LogD (pH 7.4): -3.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 109.33 Å²; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 52.98 cm³; (15)Molar Volume: 142.9 cm³; (16)Polarizability: 21×10^-24cm³; (17)Surface Tension: 65.9 dyne/cm; (18)Enthalpy of Vaporization: 73.29 kJ/mol; (19)Vapour Pressure: 1.83×10^-8 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CNc1nc(\C(=N\OC)C(=O)O)cs1
(2)InChI: InChI=1/C7H7N3O4S/c1-14-10-5(6(12)13)4-2-15-7(9-4)8-3-11/h2-3H,1H3,(H,12,13)(H,8,9,11)/b10-5-
(3)InChIKey: NRRJNSWNWIDHOX-YHYXMXQVBD