3D Mol Similar

MOLPORT-020-156-573

Iupac Name：zinc;diacetate;dihydrate

CAS No.：557-34-6

Molecular Weight：125.43200

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1. Names and Identifiers

1.1 Name: MOLPORT-020-156-573
1.2 Synonyms: MCULE-5564812106 n-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]pyridin-3-amine Z1116828520 ZINC69509226

1.3 CAS No.: 557-34-6

1.4 CID: 11192

1.5 Molecular Formula: C₁₇H₁₂ClN₅O₂ (isomer)

1.6 Inchi: InChI=1S/2C2H4O2.Zn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2

1.7 InChkey: DJWUNCQRNNEAKC-UHFFFAOYSA-L

1.8 Canonical Smiles: CC(=O)[O-].CC(=O)[O-].[Zn+2]

1.9 Isomers Smiles: CC(=O)[O-].CC(=O)[O-].[Zn+2]

2. Properties

3.1 Melting point: 83-86ºC

3.1 Precise Quality: 123.95000

3.1 PSA: 98.72000

3.1 logP: 0.08840

3. Safety and Handling

4.1 Symbol: GHS07;GHS09;

4.1 Signal Word: Warning

4.1 Risk Statements: R36

4.1 Safety Statements: S26-S39

4.1 Hazard Class: 9

4.1 Hazard Declaration: H302; H319; H410

4.1 RIDADR: UN 3077 9/PG 3

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

Serious eye damage, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H302 Harmful if swallowed H318 Causes serious eye damage H411 Toxic to aquatic life with long lasting effects
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. P273 Avoid release to the environment.
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. P310 Immediately call a POISON CENTER/doctor/\u2026 P391 Collect spillage.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Computational chemical data

Molecular Weight：125.43200g/mol
Molecular Formula：C_₁₇H_₁₂ClN_₅O_₂
Compound Is Canonicalized：True
XLogP3-AA：
Exact Mass：181.955750
Monoisotopic Mass：181.955750
Complexity：25.5
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：80.3
Heavy Atom Count：9
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：3

6. Question & Answer

How efficient is Zinc Acetate as an Oxygen absorber? Jul 24 2021
I used to work in a microbiology lab and they used zinc acetate as O2 absorber for the anaerobic chamber. Was this an efficient way to scrub O2 from the air? I am asking because I want to make an N2 gas source by removing the oxygen from airflow. I only need to be able to produce at most 500 ccm of...

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Zinc Acetate anhydrous CAS No 557-34-6