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MOLPORT-020-156-573 structure
MOLPORT-020-156-573 structure

MOLPORT-020-156-573

Iupac Name:zinc;diacetate;dihydrate
CAS No.:557-34-6
Molecular Weight:125.43200
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

5. Computational chemical data
  • Molecular Weight:125.43200g/mol
  • Molecular Formula:C17H12ClN5O2
  • 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
  • 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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