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Home> Hot Product Listed 3   > 3,6-Dichloro-2-(5-chloro-2-thienyl)imidazo[1,2-b]pyridazine
1310-53-8 structure

3,6-Dichloro-2-(5-chloro-2-thienyl)imidazo[1,2-b]pyridazine

CAS No.:1310-53-8
Molecular Weight:104.6388
Molecular Formula:C2CL2NS2.CL (isomer)
Names and Identifiers
Synonyms

Imidazo[1,2-b]pyridazine, 3,6-dichloro-2-(5-chloro-2-thienyl)-

Inchi
InChI=1/GeO2/c2-1-3
InChkey
YBMRDBCBODYGJE-UHFFFAOYSA-N
Canonical Smiles
O=[Ge]=O
Properties
Density
1.68
Melting Point
1115℃
Boiling Point
357.6 °C at 760 mmHg
Refractive Index
1.99
Flash Point
231.1 °C
HS Code
2825 60 00
Safety and Handling
Risk Statements
R22
Safety Statements
22-24/25
Hazard Note
H302; H332
Specification

The 3,6-Dichloro-2-(5-chloro-2-thienyl)imidazo[1,2-b]pyridazine,  with CAS registry number 483367-55-1, has the systematic name of 3,6-dichloro-2-(5-chlorothiophen-2-yl)imidazo[1,2-b]pyridazine. Besides this, it is also called imidazo[1,2-b]pyridazine, 3,6-dichloro-2-(5-chloro-2-thienyl)-. And the chemical formula of this chemical is C10H4Cl3N3S.

Physical properties of 3,6-Dichloro-2-(5-chloro-2-thienyl)imidazo[1,2-b]pyridazine: (1)ACD/LogP: 4.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.16; (4)ACD/LogD (pH 7.4): 4.16; (5)ACD/BCF (pH 5.5): 851.42; (6)ACD/BCF (pH 7.4): 851.43; (7)ACD/KOC (pH 5.5): 4355.09; (8)ACD/KOC (pH 7.4): 4355.12; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.43 Å2; (13)Index of Refraction: 1.795; (14)Molar Refractivity: 72.65 cm3; (15)Molar Volume: 170.7 cm3; (16)Polarizability: 28.8×10-24cm3; (17)Surface Tension: 65.4 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3sc(c2nc1ccc(Cl)nn1c2Cl)cc3
(2)InChI: InChI=1/C10H4Cl3N3S/c11-6-2-4-8-14-9(10(13)16(8)15-6)5-1-3-7(12)17-5/h1-4H
(3)InChIKey: BKFQPHFPGRTGPB-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H4Cl3N3S/c11-6-2-4-8-14-9(10(13)16(8)15-6)5-1-3-7(12)17-5/h1-4H
(5)Std. InChIKey: BKFQPHFPGRTGPB-UHFFFAOYSA-N

Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
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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

Computational chemical data
  • Molecular Weight:104.6388g/mol
  • Molecular Formula:C2CL2NS2.CL
  • Exact Mass:105.911007
  • Monoisotopic Mass:105.911007
  • Complexity:18.3
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:34.1
  • Heavy Atom Count:3
  • 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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