Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Ester & Derivatives  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Chemical Auxiliary Agent  /  Other Chemicals
1H-Benzimidazole, 2-[(4-ethoxyphenyl)methyl]-5-nitro-1-[2-(1-piperidinyl)ethyl]- structure
1H-Benzimidazole, 2-[(4-ethoxyphenyl)methyl]-5-nitro-1-[2-(1-piperidinyl)ethyl]- structure

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

CAS No.:68937-41-7
Molecular Weight:452.522281
1. Names and Identifiers
1.1 Name
1H-Benzimidazole, 2-[(4-ethoxyphenyl)methyl]-5-nitro-1-[2-(1-piperidinyl)ethyl]-
1.2 CAS No.
68937-41-7
1.3 Molecular Formula
C10H14O (isomer)
1.4 Inchi
InChI=1S/C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3
1.6 Canonical Smiles
CC(C)C1=CC=C(C=C1)OP(OC2=CC=C(C(C)C)C=C2)(=O)OC3=CC=C(C(C)C)C=C3
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

5. Computational chemical data
  • Molecular Weight:452.522281g/mol
  • Molecular Formula:C10H14O
  • 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
6. Recommended Suppliers
Global107SuppliersView all >>
  • Products:chemical industry and Pharmaceutical Intermediates products
  • Tel:0086-0311-888888
  • Email:jessica@zhanyaobio.com
Isopropylphenyl phosphate CAS 68937-41-7
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/metric ton
  • Time: 2022/05/20
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Isopropylphenyl phosphate / IPPP CAS 68937-41-7
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 USD/kilogram
  • Time: 2022/05/05
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
Isopropylphenyl phosphate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2022/05/20
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Isopropylphenyl Phosphate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/kilogram
  • Time: 2022/02/09
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Tricumol phosphate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/04/28
Inquire