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3,6-Diiodopyridazine

3,6-Diiodopyridazine structure

CAS No:
20698-04-8
Formula:
C4H2I2N2
Chemical Name:
3,6-Diiodopyridazine
Synonyms:
3,6-diiodopyridazine;Pyridazine, 3,6-diiodo-;MFCD01004249;NSC 69818;NSC69818;3,6-Diiodo-pyridazine;ACMC-1CMG2;3,6-Diiodopyridazine, 97%;SCHEMBL255651;CTK1A4813
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3,6-Diiodopyridazine Basic Attributes

Molecular Weight：

331.88

Exact Mass：

331.830719

EC Number：

1312995-182-4

NSC Number：

69818

DSSTox ID：

DTXSID40290589

HScode：

2933990090

Characteristics

PSA：

25.8

XLogP3：

1.2

Density：

2.8±0.1 g/cm3

Melting Point：

170-172°

Boiling Point：

382.2°C at 760 mmHg

Flash Point：

>110℃

Refractive Index：

1.737

Storage Conditions：

2-8°C

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

22-37/38-41

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,6-Diiodopyridazine Use and Manufacturing

To a solution of compound 1 (2.00 g, 13.4 mmol) in acetone (50 mL) were added NaI (10.0 g, 67.1 mmol) and cat. HI. The mixture was heated at 80° C for 1 h, followed by being poured into water (20 mL). The resulting precipitate was collected by filtration, dried and purified by silica gel column chromatography to give compound 2 (4.44 g, 99percent) as a light pink solid, mp 156 - 158°C.XVII.1.a3, 6-Diiodo-pyridazine; 14.9 g (0.1 mol) 3, 6-Dichloro-pyridazine and 120 ml (0.54 mol) hydroiodic acid are refluxed for 0.5 hours at 150°C. After that time the mixture is cooled down and poured into 0.4 N NaOH solution/ice water. The precipitate is filtered off, taken up in methylene chloride and dried over sodium sulphate. After evaporation of the solvent, the product is dried in vacuo at50°CYield: 28.3 g (85percent of theory), C3, 6-Diiodopyridazine A mixture 10.0 g (67.1 mmol) of 3, 6-dichloropyridazine and 40 ml of hydroiodic acid (57percent in water) is stirred for 24 hours at 70

Computed Properties

Molecular Weight:331.88
XLogP3:1.2
Hydrogen Bond Acceptor Count:2
Exact Mass:331.83074
Monoisotopic Mass:331.83074
Topological Polar Surface Area:25.8
Heavy Atom Count:8
Complexity:68.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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