Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Other Chemicals  /  Agrochemical Intermediates  /  Pharmaceuticals and Biochemicals
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-6-nitro-1H-indazole structure
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-6-nitro-1H-indazole structure

1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-6-nitro-1H-indazole

Iupac Name:[acetyloxy(phenyl)-$l^{3}-iodanyl] acetate
CAS No.:3240-34-4
Molecular Weight:322.1
1. Names and Identifiers
1.1 Name
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-6-nitro-1H-indazole
1.2 Synonyms

1-(3-Chloro-5-trifluoromethylpyridin-2-yl)-6-nitroindazole 1H-Indazole, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-nitro-

1.3 CAS No.
3240-34-4
1.4 CID
76724
1.5 Molecular Formula
C14H19NO5 (isomer)
1.6 Inchi
InChI=1S/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3
1.7 InChkey
ZBIKORITPGTTGI-UHFFFAOYSA-N
1.8 Canonical Smiles
CC(=O)OI(C1=CC=CC=C1)OC(=O)C
1.9 Isomers Smiles
CC(=O)OI(C1=CC=CC=C1)OC(=O)C
2. Properties
3.1 Melting point
161-163 °C(lit.)
3.1 Refractive index
n/D 1.444
3.1 Precise Quality
321.97000
3.1 PSA
52.60000
3.1 logP
2.31880
3. Safety and Handling
4.1 Risk Statements
36/37/38
4.1 Safety Statements
22-24/25-37/39-26-36/37/39-27
4.1 Packing Group
III
4.1 Hazard Class
6.1(b)
4.1 RIDADR
1479
4.1 WGK Germany
3
4.1 RTECS
DA3525000
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:322.1g/mol
  • Molecular Formula:C14H19NO5
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.8
  • Exact Mass:321.97021
  • Monoisotopic Mass:321.97021
  • Complexity:220
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6
  • Heavy Atom Count:15
  • 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
Global221SuppliersView all >>
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Iodobenzene Diacetate
  • 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
(Diacetoxyiodo)benzene
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/04/28
Inquire
  • Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
  • Tel:86-571-85829052
  • Email:market@royalpharms.com
Iodobenzene diacetate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 USD/kilogram
  • Time: 2022/05/13
Inquire
  • Products:o-Phthalaldehyde, Methoxyammonium chloride. DMSO, NMP,
  • Tel:86-592-5360779
  • Email:sales@luyunjiachem.com
Iodobenzene Diacetate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kilogram
  • Time: 2022/05/20
Inquire
  • Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
  • Tel:86-25-83697070
  • Email:sales@chemlin.com.cn
(Diacetoxyiodo)benzene
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/05/13
Inquire