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2-Iodopyrimidine

2-Iodopyrimidine structure

CAS No:
31462-54-1
Formula:
C4H3IN2
Chemical Name:
2-Iodopyrimidine
Synonyms:
2-Iodopyrimidine;Pyrimidine, 2-iodo-;MFCD09835340;2- Iodopyrimidine;2-iodanylpyrimidine;PubChem23553;KSC220O6F;SCHEMBL255997;CTK1C0762;DTXSID40463352
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Light yellow powder

2-Iodopyrimidine Basic Attributes

Molecular Weight：

205.98449

Exact Mass：

205.934082

DSSTox ID：

DTXSID40463352

HScode：

2933599090

Characteristics

PSA：

25.8

XLogP3：

0.2

Density：

2.1±0.1 g/cm3

Melting Point：

30-32 °C

Flash Point：

121.6±22.6 °C

Refractive Index：

1.641

Safety Information

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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Iodopyrimidine Use and Manufacturing

Under NIce cooled hydriodic acid (Wako Pure Chemical Industries, Ltd.) (14.7 ml, 57percent) was added gradually to 3.68 g (32.0 mmoles) of 2-chloropyrimidine (Sigma-Aldrich Corporation), and the reaction mixture was agitated for fifty minutes at 0°C. Ice cooled aqueous sodium carbonate solution was added to the reaction solution until the solution was neutral, and aqueous sodium sulfite solution was subsequently added. The product was extracted using diethyl ether, and the organic layer was dried using anhydrous sodium sulfate after it was washed once using a saturated aqueous sodium chloride solution. The solvent was removed, and the pale yellow oil remaining was dissolved in boiling hexane. The solution was left standing to cool, and 3.62 g (17.6 mmoles, 55percent) of colorless needle-like crystals (Compound 2) was obtained. The analytical results for Compound 2 obtained (2-iodopyrimidene) are shown below. To a solution of (1) Add 0.5 mmol of Add in the reaction tube

Computed Properties

Molecular Weight:205.98
XLogP3:0.2
Hydrogen Bond Acceptor Count:2
Exact Mass:205.93410
Monoisotopic Mass:205.93410
Topological Polar Surface Area:25.8
Heavy Atom Count:7
Complexity:51.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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