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3-iodopyridin-4-ol

3-iodopyridin-4-ol structure

CAS No:
89282-03-1
Formula:
C5H4INO
Chemical Name:
3-iodopyridin-4-ol
Synonyms:
3-iodopyridin-4-ol;3-Iodo-4-hydroxypyridine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-iodopyridin-4-ol Basic Attributes

Molecular Weight：

220.993

Exact Mass：

220.933746

DSSTox ID：

DTXSID40342375

Characteristics

PSA：

29.1

XLogP3：

0.8

Density：

2.1±0.1 g/cm3

Melting Point：

303 °C(Solv: water (7732-18-5))

Boiling Point：

263.4°C at 760 mmHg

Flash Point：

157.0±22.3 °C

Refractive Index：

1.683

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

hazard class code：

Marks：

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

3-iodopyridin-4-ol Use and Manufacturing

Step 1. 3-iodopyridin-4-ol (46)[00370] To a stirred solution of 4-hydroxypyridine (5.0 g, 52.6 mmol) in water (90 ml) were successively added sodium hydroxide (5.4 g, 135 mmol) and iodine (28.0 g, 1 10 mmol). The reaction mixture was heated 85°C for 16 hours then cooled-down to room temperature. The product was collected by filtration and dry under high vacuum to afford the title compound 46 (7.56 g, 34.2 mmol, 65percent) as a white solid. MS: 222.0(M+l).4-Hydroxy-pyridine (23.8 g, 250 mmol) and NaAdd 10.6 g (0.10 mol) of Na37a.

Computed Properties

Molecular Weight:221.00
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:220.93376
Monoisotopic Mass:220.93376
Topological Polar Surface Area:29.1
Heavy Atom Count:8
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes