1H-Benzimidazole, 2-[(4-ethoxyphenyl)methyl]-5-nitro-1-[2-(1-piperidinyl)ethyl]- structure

3D Mol Similar

1H-Benzimidazole, 2-[(4-ethoxyphenyl)methyl]-5-nitro-1-[2-(1-piperidinyl)ethyl]-

CAS No.：68937-41-7

Molecular Weight：452.522281

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1. Names and Identifiers

1.1 Name: 1H-Benzimidazole, 2-[(4-ethoxyphenyl)methyl]-5-nitro-1-[2-(1-piperidinyl)ethyl]-

2. Properties

3.1 Melting point: -12 to -26℃

3.1 Boiling point: 300.8±22.0 °C(Predicted)

3.1 Refractive index: 1.543

3.1 Precise Quality: 216.05500

3.1 PSA: 65.57000

3.1 logP: 2.59080

3. Safety and Handling

4.1 Packing Group: III

4.1 Hazard Class: 9

4.1 RIDADR: 3077

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 2

Specific target organ toxicity \u2013 repeated exposure, Category 2

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

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H361 Suspected of damaging fertility or the unborn child H373 May cause damage to organs through prolonged or repeated exposure H410 Very toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P280 Wear protective gloves/protective clothing/eye protection/face protection. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P273 Avoid release to the environment.
Response	P308+P313 IF exposed or concerned: Get medical advice/ attention. P314 Get medical advice/attention if you feel unwell. P391 Collect spillage.
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：452.522281g/mol
Molecular Formula：C_₁₀H_₁₄O
XLogP3-AA：7.4
Exact Mass：452.211646
Monoisotopic Mass：452.211646
Complexity：500
Rotatable Bond Count：9
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：44.8
Heavy Atom Count：32
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：1

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