Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Laboratory Chemicals  /  Others  /  Pharmaceutical  /  Basic Organic Chemicals
1H-Pyrazole-5-carboxylic acid, 1-(3-cyano-4-fluorophenyl)-3-methyl-,ethyl ester structure
1H-Pyrazole-5-carboxylic acid, 1-(3-cyano-4-fluorophenyl)-3-methyl-,ethyl ester structure

1H-Pyrazole-5-carboxylic acid, 1-(3-cyano-4-fluorophenyl)-3-methyl-,ethyl ester

Iupac Name:docosane
CAS No.:629-97-0
Molecular Weight:310.61
1. Names and Identifiers
1.1 Name
1H-Pyrazole-5-carboxylic acid, 1-(3-cyano-4-fluorophenyl)-3-methyl-,ethyl ester
1.2 Synonyms

2-(3-Cyano-4-fluoro-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid ethyl ester ethyl 1-(4-fluoro-3-cyanophenyl)-3-methyl-5-pyrazole carboxylate

1.3 CAS No.
629-97-0
1.4 CID
12405
1.5 Molecular Formula
C24H20ClN3O3 (isomer)
1.6 Inchi
InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
1.7 InChkey
HOWGUJZVBDQJKV-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCC
1.9 Isomers Smiles
CCCCCCCCCCCCCCCCCCCCCC
2. Properties
3.1 Melting Point
43-46℃
3.2 Vapour
<1 mm Hg ( 21.1 °C)
3.3 Refractive Index
1.4455
3. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
S24/25
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:310.61g/mol
  • Molecular Formula:C24H20ClN3O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:310.359951467
  • Monoisotopic Mass:310.359951467
  • Complexity:153
  • Rotatable Bond Count:19
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:22
  • 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
Global46SuppliersView all >>
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
Docosane CAS No.: 629-97-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2020/11/27
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Docosane
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/Kilogram
  • Time: 2021/03/09
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Docosane
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:Pharmaceutical, chemical technology research and development
  • Tel:086-0532-80960264
  • Email:derek@believechem.com
N-DOCOSANE
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2022/01/11
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:Helen@crovellbio.com
N-DOCOSANE
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/06/23
Inquire