Basic information
- CAS
1780-26-3- Standard SMILES
Cc1nc(Cl)cc(Cl)n1- InChIKey
FIMUTBLUWQGTIJ-UHFFFAOYSA-N- Molecular formula
- C5H4Cl2N2
- Average molar mass
- 163 g/mol
- Monoisotopic mass
- 161.97515349
Names & identifiers
- Preferred name
- 4,6-Dichloro-2-methylpyrimidine
- IUPAC
- 4,6-dichloro-2-methylpyrimidine
- English name
- 4,6-Dichloro-2-methylpyrimidine
- Molecular formula
- C5H4Cl2N2
- Molecular weight
- 163
Names & synonyms
4,6-Dichloro-2-methylpyrimidine1780-26-32-METHYL-4,6-DICHLOROPYRIMIDINEPyrimidine, 4,6-dichloro-2-methyl-4UM8PK8RCCNSC-35923DTXSID80284149RefChem:96623DTXCID502353004.6-dichloro-2-methyl pyrimidine605-815-0MFCD00090472
Show more names
6-Dichloro-2-methylpyrimidine2-MDCPBUTTPARK 52\14-704,6-Dichloro-2-methyDasatinib Impurity 99Dasatinib EP Impurity-B4,6-Dicloro-2-methylpyrimidine
4,6-Dichloro-2-methyl-pyrimidineUNII-4UM8PK8RCCSCHEMBL1130852-methyl-4,6-dichloro-pyrimidine4,6-Dichloro-2-methylpyrimidine, 98%Dasatinib Impurity 424,6-dichloro-2-methyl pyrimidineBCP30663
Database identifiers
- CAS
1780-26-3- PubChem CID
- 234997
- DTXSID
DTXSID80284149- UNII
- 4UM8PK8RCC
- EC Number
- 605-815-0
- Nikkaji
- J1.486.213G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 89
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 41.5 · 41.5-45.5 °C (lit.)
- Boiling point
- 210.8 · 210.8±20.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- Flash point
- 208 °F · 208 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- pka
- -3.84 · -3.84±0.30(Predicted)
- form
- Crystalline Powder or Crystals
- color
- White to off-white
- InChI
- InChI=1S/C5H4Cl2N2/c1-3-8-4(6)2-5(7)9-3/h2H,1H3
- InChIKey
- FIMUTBLUWQGTIJ-UHFFFAOYSA-N
- SMILES
- C1(C)=NC(Cl)=CC(Cl)=N1
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.9% (1 of 53) of reports.
Danger
H302 (81.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (81.1%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29335990
- risk_code
- 34-51/53-43-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- C,N,Xn
- safety_code
- 26-36/37/39-45-61-36/37
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302-H317-H411
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Skin Sens. 1
- Precautionary statements
Chemistry & industry
Applications
Uses4,6-Dichloro-2-methylpyrimidine, is a versatile building block used for the synthesis of more complex pharmaceutical and biologically active compounds, such as Dasatinib (D290002), and its derivatives.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
101 records
Compound notes
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