5-Chloro-2-iodopyrimidine
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Basic information
- CAS
874676-81-0- Standard SMILES
Clc1cnc(I)nc1- InChIKey
BWDLBDLGVMLSCS-UHFFFAOYSA-N- Molecular formula
- C4H2ClIN2
- Average molar mass
- 240.43 g/mol
- Monoisotopic mass
- 239.89512
Names & identifiers
- Preferred name
- 5-Chloro-2-iodopyrimidine
- IUPAC
- 5-chloro-2-iodopyrimidine
- English name
- 5-Chloro-2-iodopyrimidine
- Molecular formula
- C4H2ClIN2
- Molecular weight
- 240.43
Names & synonyms
5-Chloro-2-iodopyrimidine874676-81-0Pyrimidine, 5-chloro-2-iodo-MFCD08062390SCHEMBL1550701DTXSID90652315BWDLBDLGVMLSCS-UHFFFAOYSA-N5-Chloro-2-iodopyrimidine 97%5-Chloro-2-iodopyrimidine, 98%AKOS0158504655-Chloro-2-iodopyrimidine, AldrichCPRAC-4604
Show more names
5-Chloro-2-iodopyrimidine 97%5-Chloro-2-iodopyrimidine ISO 9001：2015 REACH
CS-W003462NC70377SB60604DS-10496SY027946EN300-1050125-Chloro-2-iodopyrimidine ISO 90012015 REACHF049836
Database identifiers
- CAS
874676-81-0- PubChem CID
- 29938005
- DTXSID
DTXSID90652315
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72
Physicochemical properties
- Boiling point
- 316.6 · 316.6±34.0 °C(Predicted)
- Density
- 2.187 · 2.187±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- -2.56 · -2.56±0.22(Predicted)
- form
- Powder
- color
- White
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Light Sensitive
- InChI
- InChI=1S/C4H2ClIN2/c5-3-1-7-4(6)8-2-3/h1-2H
- InChIKey
- BWDLBDLGVMLSCS-UHFFFAOYSA-N
- SMILES
- C1(I)=NC=C(Cl)C=N1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933599590
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335-H302
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Description5-Chloro-2-iodopyrimidine is an organic molecule that belongs to the class of trifluoromethylated molecules. It is a halogenated derivative of pyrimidine and has a molecular formula of C4H2ClIN2. 5-Chloro-2-iodopyrimidine can be catalyzed with copper, which is responsible for its unique reactivity. The synthesis of this molecule has been shown to be efficient in organic chemistry.
UsesUseful Intermediate for organic synthesis and pharmaceutical.
Preparation methods
PreparationA flask was charged with 57% HI (48 ml) and then cooled to 0°C in an ice-salt mixture. Dichloropyrimidine (6 g) was added to the mixture. After 4h, the obtained yellow suspension was treated carefully with K2CO3 solution (32 g, 60 ml), and the pale yellow solid was collected by filtration. The solid was washed with water and dried to give compound 5-Chloro-2-iodopyrimidine.
Upstream & downstream products
Downstream products
Related reactions
9 records
Compound notes
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