Naphthalene, 1,1'-(1,6-hexanediyl)bis- structure

3D Mol Similar

Naphthalene, 1,1'-(1,6-hexanediyl)bis-

Iupac Name：5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

CAS No.：158681-13-1

Molecular Weight：500.24800

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1. Names and Identifiers

1.1 Name: Naphthalene, 1,1'-(1,6-hexanediyl)bis-

2. Properties

3.1 Density: 0.9505 g/cm3

3.1 Melting point: 230-240ºC

3.1 Refractive index: 1.668

3.1 Precise Quality: 498.05500

3.1 PSA: 50.16000

3.1 logP: 7.06940

3. Safety and Handling

4.1 Symbol: GHS06

4.1 Signal Word: Danger

4.1 Risk Statements: 25-36

4.1 Safety Statements: 26-45

4.1 Hazard Declaration: H301-H319

4.1 RIDADR: UN 2811 6.1 / PGIII

4.1 Caution Statement: P301 + P310-P305 + P351 + P338

4.1 WGK Germany: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H301 Toxic 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+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). 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	P405 Store locked up.
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：500.24800g/mol
Molecular Formula：C_₁₂H_₁₈
Compound Is Canonicalized：True
XLogP3-AA：
Exact Mass：500.051822
Monoisotopic Mass：498.054772
Complexity：583
Rotatable Bond Count：4
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：50.2
Heavy Atom Count：31
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

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