2-Amino-4,6-dichloropyrimidine
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Basic information
- CAS
56-05-3- Standard SMILES
Nc1nc(Cl)cc(Cl)n1- InChIKey
JPZOAVGMSDSWSW-UHFFFAOYSA-N- Molecular formula
- C4H3Cl2N3
- Average molar mass
- 163.99 g/mol
- Monoisotopic mass
- 162.97040246
Overview
structure
Names & identifiers
- Preferred name
- 2-Amino-4,6-dichloropyrimidine
- IUPAC
- 4,6-dichloropyrimidin-2-amine
- English name
- 2-Amino-4,6-dichloropyrimidine
- Molecular formula
- C4H3Cl2N3
- Molecular weight
- 163.99
Names & synonyms
2-Amino-4,6-dichloropyrimidine56-05-34,6-Dichloro-2-pyrimidinamine2-Pyrimidinamine, 4,6-dichloro-Pyrimidine, 2-amino-4,6-dichloro-DTXSID2049420NSC-18698885F759P8IDTXCID1029380RefChem:85162200-253-94,6-dichloropyrimidin-2-amine
Show more names
ADCPpy11AKOS 90013oropyrimidine2-Amino-4,6-dichLTIMTEC-BB SBB0039196-dichloropyriMidineLABOTEST-BB LT00080771
MFCD00006090Py 114,6-Dichloropyrimidin-2-ylamineBRN 01184544,6-Dichloro-2-aminopyrimidine2-amino-4,6-dichloropyrimdine2-amino-4,6-dichloropyrmidine2-Amino-4,6 dichloropyrimidine
Database identifiers
- CAS
56-05-3- PubChem CID
- 65522
- DTXSID
DTXSID2049420- ChEMBL
CHEMBL3188288- UNII
- 885F759P8I
- EC Number
- 200-253-9
- Nikkaji
- J207.971B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 89.8
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 219 · 219-222 °C (lit.)
- Boiling point
- 219 · 219-222°C
- Density
- 1.6662 · 1.6662 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 0.14 · 0.14±0.10(Predicted)
- form
- Liquid
- color
- Clear colorless to light yellow
- Water Solubility
- Insoluble in water, soluble in acetone, two monomer (VCM) and thermal toluene.
- BRN
- 118454 · 118454
- InChI
- InChI=1S/C4H3Cl2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9)
- InChIKey
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UV6260485
- hs_code
- 29335995
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Pyrimidinamine, 4,6-dichloro-: ACTIVE
Applications
UsesMicrowave-assisted synthesis of pyrazolo [3, 4-d] pyrimidines from 2-amino-4, 6-dichloropyrimidine-5-carbaldehyde is under solvent-free conditions. A series of 6-alkynyl-2,4-diaminopyrimidine derivatives bearing various substituents at alkynyl moiety was prepared by the Sonogashira cross-coupling reaction of 2,4-diamino-6-iodopyrimidine using Pd(PPh3)2Cl2 as catalyst.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
409 records
Compound notes
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