Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Others  /  Pharmaceutical Intermediates
Pyridazine, 3-bromo-5-chloro- structure
Pyridazine, 3-bromo-5-chloro- structure

Pyridazine, 3-bromo-5-chloro-

Iupac Name:4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CAS No.:1037184-44-3
Molecular Weight:366.194
1. Names and Identifiers
1.1 Name
Pyridazine, 3-bromo-5-chloro-
1.2 Synonyms

3-bromo-5-chloro-Pyridazine

1.3 CAS No.
1037184-44-3
1.4 CID
44632017
1.5 Molecular Formula
C14H19BO2 (isomer)
1.6 Inchi
InChI=1S/C17H13Cl2NO4/c1-24-10-4-2-9(3-5-10)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22/h2-7,23H,8H2,1H3,(H,20,22)
1.7 InChkey
HLXSCTYHLQHQDJ-UHFFFAOYSA-N
1.8 Canonical Smiles
COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O
1.9 Isomers Smiles
COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O
2. Properties
3.1 Density
0.987±0.06 g/cm3(Predicted)
3.1 Melting point
149-151℃
3.1 Precise Quality
365.02200
3.1 PSA
75.63000
3.1 logP
3.55270
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

4. Computational chemical data
  • Molecular Weight:366.194g/mol
  • Molecular Formula:C14H19BO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.1
  • Exact Mass:365.0221633
  • Monoisotopic Mass:365.0221633
  • Complexity:509
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:75.6
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
5. Recommended Suppliers
Global22SuppliersView all >>
  • Products:API,Pharmaceutical intermediates, food additives, plant extracts,cosmetics,fine chemicals,reagents
  • Tel:+86-571-88216897
YK-4-279
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2022/04/24
Inquire
YK-4-279 1037184-44-3 supplier
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/25
Inquire
  • Products:Shanghai Forever Synthesis Co.,Ltd. is a professional chemical supplier for API, intermediates, fine chemicals, and customized synthesis.
  • Tel:86-21-61124658
YK-4-279
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/06/12
Inquire
YK-4-279
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0 USD/kilogram
  • Time: 2019/02/25
Inquire
YK-4-279/ 1037184-44-3/ 99% IN STOCK
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 20 USD/gram
  • Time: 2022/03/31
Inquire