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3,4,5-Trichloropyridazine

3,4,5-Trichloropyridazine structure

CAS No:
14161-11-6
Formula:
C4HCl3N2
Chemical Name:
3,4,5-Trichloropyridazine
Synonyms:
Pyridazine,3,4,5-trichloro-;3,4,5-Trichloropyridazine;NSC 75074
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3,4,5-Trichloropyridazine Basic Attributes

Molecular Weight：

183.42

Exact Mass：

183.42

EC Number：

238-006-2

UNII：

5ESP23PLR6

NSC Number：

75074

HScode：

2933990090

Characteristics

PSA：

25.8

XLogP3：

2.1

Density：

1.641±0.06 g/cm3(Predicted)

Melting Point：

56-58 °C

Boiling Point：

117-118 °C @ Press: 14-15 Torr

Flash Point：

178.7±12.1 °C

Refractive Index：

1.579

Vapor Pressure：

0.000514mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

1759

hazard class code：

22-36/38-43

safety instructions：

Marks：

Xi,Xn

Precautionary statement(s)：

P261, P264, P270, P272, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (97.62%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P405, and P501|Aggregated GHS information provided by 42 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,4,5-trichloropyridazine

3,4,5-Trichloropyridazine Use and Manufacturing

A mixture of 4, 5-dichloro-3-hydroxypyridazine (25 g, 151 mmol) in phosphorus oxychloride (80 mL) was stirred at reflux (120°C) for 24 h. POCI4, 5-dichloropyridazin-3(2H)-one (10.0 g, 60.6 mmole) in POClPreparation 22 3, 4, 5-Trichloropyridazine 4, 5-Dichloropyridazin-3(2/-/)-one (10. Og, 60.6 mmole) in POCI200 g of commercially available 4, 5-dichloro-3(2H)-pyridazinone are refluxed in 1500 cmExample 372: 5-[(3R)-3-(Methylamino)pyrrolidin-1-yl]-N-(2- phenylethyl)pyhdazin-3-amine. --> 3, 4, 5-trichloropyridazine. A solution of 4, 5-dichloropyridazin-3(2H)-one (2 g, 12 mmol) in 20 ml_ of phosphoryl trichloride was heated to reflux for 2 hrs. The solvent was removed under reduce pressure. The residue was poured into water with stirring and extracted with dicloromathene (50 ml_

Computed Properties

Molecular Weight:183.42
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Exact Mass:181.920531
Monoisotopic Mass:181.920531
Topological Polar Surface Area:25.8
Heavy Atom Count:9
Complexity:99.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4,5-Trichloropyridazine

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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3,4,5-Trichloropyridazine

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