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T6628422 structure
T6628422 structure

T6628422

Iupac Name:zinc;diacetate;dihydrate
CAS No.:5970-45-6
Molecular Weight:219.49900
1. Names and Identifiers
1.1 Name
T6628422
1.2 Synonyms

3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[6-(piperidin-1-yl)pyridin-3-yl]urea MCULE-8154454244 MOLPORT-009-558-222 Z489268984 ZINC48273672

1.3 CAS No.
5970-45-6
1.4 CID
2724192
1.5 Molecular Formula
C19H22N2O4 (isomer)
1.6 Inchi
InChI=1S/2C2H4O2.2H2O.Zn/c2*1-2(3)4;;;/h2*1H3,(H,3,4);2*1H2;/q;;;;+2/p-2
1.7 InChkey
BEAZKUGSCHFXIQ-UHFFFAOYSA-L
1.8 Canonical Smiles
CC(=O)[O-].CC(=O)[O-].O.O.[Zn+2]
1.9 Isomers Smiles
CC(=O)[O-].CC(=O)[O-].O.O.[Zn+2]
2. Properties
3.1 Melting point
100 °C
3.1 Precise Quality
217.97700
3.1 PSA
98.72000
3.1 logP
-2.61870
3. Safety and Handling
4.1 Symbol
GHS07;GHS09;
4.1 Signal Word
Warning
4.1 Risk Statements
R22; R36; R50/53
4.1 Safety Statements
S26-S60-S61-S36
4.1 Packing Group
III
4.1 Hazard Class
9
4.1 Hazard Declaration
H302; H319; H410
4.1 RIDADR
UN 3077 9/PG 3
4.1 Caution Statement
P273-P305 + P351 + P338-P501
4.1 WGK Germany
3
4.1 RTECS
ZG8750000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:219.49900g/mol
  • Molecular Formula:C19H22N2O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:217.976880
  • Monoisotopic Mass:217.976880
  • Complexity:25.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:82.3
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:5
6. Question & Answer
  • Zn(CH3COO)2 · 2H2O = 219.5 g/mol /////////////////////////////////////// 1/50 = 0.02 M VM = # mol 0.1 x 0.02 = 0.002 mol 0.002 x 219.5 = 0.439 g take this mass and mix with water till final volume of 100 mL
  • For some Chemistry work in the laboratory, I needed Zinc acetate but laboratory only has Zinc acetate dihydrate. Is there any way to convert hydrate form to anhydrous form? Maybe by heating or any other method? If by heating, how much time and temperature I should give?
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