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1,4-Bis(dodecyloxy)naphthalene-2,3-dicarbonitrile structure
1,4-Bis(dodecyloxy)naphthalene-2,3-dicarbonitrile structure

1,4-Bis(dodecyloxy)naphthalene-2,3-dicarbonitrile

Iupac Name:sodium;2-oxopropanoate
CAS No.: 113-24-6
Molecular Weight:110.044
Modify Date.: 2022-02-23 10:29
1. Names and Identifiers
1.1 Name
1,4-Bis(dodecyloxy)naphthalene-2,3-dicarbonitrile
1.2 Synonyms

2,3-Naphthalenedicarbonitrile, 1,4-bis(dodecyloxy)- CTK0A3199 DTXSID40774056

1.3 CAS No.
113-24-6
1.4 CID
23662274
1.5 Molecular Formula
C10H13NS (isomer)
1.6 Inchi
InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1
1.7 InChkey
DAEPDZWVDSPTHF-UHFFFAOYSA-M
1.8 Canonical Smiles
CC(=O)C(=O)[O-].[Na+]
1.9 Isomers Smiles
CC(=O)C(=O)[O-].[Na+]
2. Properties
3.1 Melting point
300℃
3.1 Refractive index
1,426-1,43
3.1 Vapour pressure
0.968mmHg at 25°C
3.1 Precise Quality
109.99800
3.1 PSA
57.20000
3.1 logP
-1.67470
3. Safety and Handling
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S24/25
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 110.044g/mol
  • Molecular Formula: C10H13NS
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 109.99798824
  • Monoisotopic Mass: 109.99798824
  • Complexity: 88.2
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 57.2
  • Heavy Atom Count: 7
  • 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: 2
  • CACTVS Substructure Key Fingerprint: AAADcQBAMCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACASAgAACCAAAAAAIAICQCAIAAAAAAAAAAAFAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
  • Can Sodium Pyruvate decarboxylate to acetic acid + CO2 in the presence of just moisture and heat? If so, what kind of temperature is required?
  • Sodium pyruvate is a salt of the conjugate anion form of pyruvic acid, known as pyruvate. It is commonly added to cell culture media as an additional source of energy, but may also have protective effects against hydrogen peroxide. This was reported by Giandomenico et al and has been confirmed by s...
  • Sodium pyruvate appears as white to slightly yellow crystalline pow. Sodium pyruvate is a salt of the conjugate anion form of pyruvic acid, known as pyruvate. Sodium pyruvate is commonly added to cell culture media as an additional source of energy, but may also have protective effects against hydr...
  • Sodium pyruvate (α-Ketopropionic acid sodium salt; 2-Oxopropanoic acid sodium salt;Pyruvic acid sodium; C3H3NaO3) as an important endogenous small molecules participates various tissue and organ metabolism processes that is the final product of glycolysis and the starting substrate for the t...
8. Realated Product Infomation