Basic information
- Standard SMILES
Cc1cc(Cl)nc(Cl)n1- InChIKey
BTLKROSJMNFSQZ-UHFFFAOYSA-N- Molecular formula
- C5H4Cl2N2
- Average molar mass
- 163 g/mol
- Monoisotopic mass
- 161.97515349
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-methylpyrimidine
- IUPAC
- 2,4-dichloro-6-methylpyrimidine
- English name
- 2,4-Dichloro-6-methylpyrimidine
- Molecular formula
- C5H4Cl2N2
- Molecular weight
- 163
Names & synonyms
2,4-Dichloro-6-methylpyrimidinePyrimidine, 2,4-dichloro-6-methyl-NSC 13199AI3-26572EINECS 226-563-4DTXSID0063868RefChem:82361DTXCID5041647226-563-4BTLKROSJMNFSQZ-UHFFFAOYSA-N5424-21-52,6-Dichloro-4-methylpyrimidine
Show more names
AKOS BBS-000058394-Dichloro-6-MethylpyriMidine2,4-DICHLORO-6-METHYLPYRIMIDE2,4-dichloro-6-methyl-pyrimidin2,4-Dichloro-6-methyl-1,3-diazine2,4-Dichloro-6-methylpyrimidine>
2,4-dichloro-6-methyl-pyrimidineMFCD00006064NSC-131996-methyl-2,4-dichloropyrimidineNSC131996N8JD43WQQSCHEMBL1047862,4-Dichloro6-methylpyrimidine
Database identifiers
- CAS
5424-21-5- PubChem CID
- 79471
- DTXSID
DTXSID0063868- UNII
- 6N8JD43WQQ
- EC Number
- 226-563-4
- Nikkaji
- J218.008A
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
- 99
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 44 · 44-47 °C (lit.)
- Boiling point
- 219 °C · 219 °C (lit.)
- Density
- 1.5462 · 1.5462 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Chloroform (Very Slightly, Heated, Sonicated), DMSO (Sparingly, Heated)
- form
- powder to crystal
- pka
- -2.12 · -2.12±0.30(Predicted)
- color
- White to Orange to Green
- Water Solubility
- Soluble in Chloroform, Ether, Ethyl Acetate and Toluene. Insoluble in water.
- BRN
- 114295 · 114295
- InChI
- InChI=1S/C5H4Cl2N2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3
- InChIKey
- BTLKROSJMNFSQZ-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC(C)=CC(Cl)=N1
- CAS DataBase Reference
- 5424 · 5424-21-5(CAS DataBase Reference)
- FDA UNII
- 6 N8JD43WQQ · 6N8JD43WQQ
- EPA Substance Registry System
- 2 · Pyrimidine, 2,4-dichloro-6-methyl- (5424-21-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-27-36/37/39-45
- RIDADR
- 3263 · UN 3263 8/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29335990 · 29335990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (98%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3263 8/PG 2
- hs_code
- 29335990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyrimidine, 2,4-dichloro-6-methyl-: INACTIVE
Applications
Uses2,4-Dichloro-6-methylpyrimidine is used in the synthesis of (2-chloro-6-methyl-pyrimidin-4-yl)-(2,3-dihydro-benzothiazol-6-yl)-amine.
General Description2,4-Dichloro-6-methylpyrimidine undergoes double cross-coupling reaction with 2-(tributylstannyl)pyridine, followed by aldol condensation to yield 4-arylvinyl-2,6-di(pyridin-2-yl)pyrimidines. It reacts with 1H,1H,2H,2H-perfluorodecanethiol during fluorous synthesis of disubstituted pyrimidines.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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