Basic information
- CAS
5053-43-0- Standard SMILES
Cc1ncccn1- InChIKey
LNJMHEJAYSYZKK-UHFFFAOYSA-N- Molecular formula
- C5H6N2
- Average molar mass
- 94.11 g/mol
- Monoisotopic mass
- 94.0530982
Names & identifiers
- Preferred name
- 2-Methylpyrimidine
- IUPAC
- 2-methylpyrimidine
- English name
- 2-Methylpyrimidine
- Molecular formula
- C5H6N2
- Molecular weight
- 94.11
Names & synonyms
2-MethylpyrimidinePyrimidine, 2-methyl-2-Methyl-1,3-diazineDTXSID0087111155133-63-6RefChem:88381DTXCID00818783624-174-8946-022-2LNJMHEJAYSYZKK-UHFFFAOYSA-N5053-43-0MFCD00128182
Show more names
2-MethylpyriMidine 97%2-Methylpyrimidine 97%2-methylpyrimidine analogueDasatinib Impurity HC1012-30222-Methylpyrimidin2-Methylpyrimidinee2-Methylpyrimidine ISO 9001：2015 REACH
Dasatinib Impurity SAKOS015892505CS-W016665SB55536PS-18071SY008219AM10342-Methylpyrimidine, 97%
Database identifiers
- CAS
5053-43-0、55133-63-6- PubChem CID
- 78748
- DTXSID
DTXSID00871111- EC Number
- 624-174-8、946-022-2
- Nikkaji
- J146.106K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 48
Experimental & physicochemical properties
SpringerMaterials PropertiesElectric dipole moment
LogP-0.05
Physicochemical properties
- Melting point
- -4 °C · -4°C
- Boiling point
- 165.6 °C · 165.6°C (rough estimate)
- Density
- 1.0132 g/mL · 1.0132 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.4930
- Flash point
- 38 °C · 38 °C
- storage temp.
- Store at room temperature
- form
- liquid
- pka
- 1.85 · 1.85±0.13(Predicted)
- Specific Gravity
- 1.02 · 1.02
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C5H6N2/c1-5-6-3-2-4-7-5/h2-4H,1H3
- InChIKey
- LNJMHEJAYSYZKK-UHFFFAOYSA-N
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
Danger
H226 (98.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 71 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Hazard information
Hazard Classes and Categories
Flam. Liq. 3 (98.6%)
Flam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 1993
- risk_code
- 10-36/37/38-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 16-26-36/37/39-39
- Storage Class
- 3 - Flammable liquids
- target organs
- Respiratory system
- Hazard statements
- H226-H302-H315-H318-H335
- Hazard Classifications
Chemistry & industry
Applications
Uses2-Methylpyrimidine is used in preparation of pyrimidine derivative and related heterocycles as complement modulators for treatment of diseases.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Related reactions
6 records
Compound notes
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