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EX-41-315 structure
EX-41-315 structure

EX-41-315

Iupac Name:zinc;sulfate;heptahydrate
CAS No.:7446-20-0
Molecular Weight:161.4716
1. Names and Identifiers
1.1 Name
EX-41-315
1.2 Synonyms

AK267213 AKOS024435850 n'-(4-nitrobenzylidene)stearohydrazide n'-[(e)-(4-nitrophenyl)methylidene]octadecanohydrazide

1.3 CAS No.
7446-20-0
1.4 CID
62640
1.5 Molecular Formula
C16H27N5O2 (isomer)
1.6 Inchi
InChI=1S/H2O4S.7H2O.Zn/c1-5(2,3)4;;;;;;;;/h(H2,1,2,3,4);7*1H2;/q;;;;;;;;+2/p-2
1.7 InChkey
RZLVQBNCHSJZPX-UHFFFAOYSA-L
1.8 Canonical Smiles
O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Zn+2]
1.9 Isomers Smiles
O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Zn+2]
2. Properties
3.1 Melting point
100℃
3.1 Precise Quality
285.95500
3.1 PSA
153.25000
3.1 logP
-0.70980
3. Safety and Handling
4.1 Symbol
GHS05, GHS07, GHS09
4.1 Signal Word
Danger
4.1 Risk Statements
R22;R41;R50/53
4.1 Safety Statements
S22;S26;S39;S46;S60;S61
4.1 Packing Group
III
4.1 Hazard Class
9.2
4.1 Hazard Declaration
H302-H318-H410
4.1 RIDADR
UN 3077
4.1 Caution Statement
P273-P280-P305 + P351 + P338-P501
4.1 WGK Germany
3
4.1 RTECS
ZH5300000
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, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

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

H410 Very 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:161.4716g/mol
  • Molecular Formula:C16H27N5O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:285.954824
  • Monoisotopic Mass:285.954824
  • Complexity:62.2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:7
  • Hydrogen Bond Acceptor Count:11
  • Topological Polar Surface Area:95.6
  • Heavy Atom Count:13
  • 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:9
6. Recommended Suppliers
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