2,4-Dichloro-6-(propan-2-yl)pyrimidine
Basic information
- CAS
89938-05-6- Standard SMILES
CC(C)c1cc(Cl)nc(Cl)n1- InChIKey
QOPLCURPYPOIIB-UHFFFAOYSA-N- Molecular formula
- C7H8Cl2N2
- Average molar mass
- 191.05 g/mol
- Monoisotopic mass
- 190.0064537
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-(propan-2-yl)pyrimidine
- IUPAC
- 2,4-dichloro-6-propan-2-ylpyrimidine
- English name
- 2,4-Dichloro-6-isopropylpyrimidine
- Molecular formula
- C7H8Cl2N2
- Molecular weight
- 191.06
Names & synonyms
89938-05-62,4-dichloro-6-(propan-2-yl)pyrimidineDTXSID60289016RefChem:246280DTXCID60240162868-415-72,4-dichloro-6-isopropylpyrimidineMFCD189164122,4-dichloro-6-propan-2-ylpyrimidinePyrimidine,2,4-dichloro-6-(1-methylethyl)-NSC585702,4-dichloro-6-isopropyl-pyrimidine
Show more names
SCHEMBL1706547CHEMBL1997248QOPLCURPYPOIIB-UHFFFAOYSA-NPDA93805NSC-58570AKOS013907520SB56227NCI60_004425
Database identifiers
- CAS
89938-05-6- PubChem CID
- 246012
- DTXSID
DTXSID60289016- ChEMBL
CHEMBL1997248- EC Number
- 868-415-7
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 243.3 · 243.3±20.0 °C(Predicted)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture
- pka
- -2.23 · -2.23±0.30(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Suppliers
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Related reactions
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Compound notes
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