2,4(1H,3H)-Pyrimidinedione, 5-chloro-6-methyl-
Basic information
- CAS
16018-87-4- Standard SMILES
Cc1[nH]c(=O)[nH]c(=O)c1Cl- InChIKey
YFTMPDGCVOWZOZ-UHFFFAOYSA-N- Molecular formula
- C5H5ClN2O2
- Average molar mass
- 160.56 g/mol
- Monoisotopic mass
- 160.0039551
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 5-chloro-6-methyl-
- IUPAC
- 5-chloro-6-methyl-1H-pyrimidine-2,4-dione
- English name
- 5-CHLORO-6-METHYLURACIL
- Molecular formula
- C5H5ClN2O2
- Molecular weight
- 160.56
Names & synonyms
5-chloro-6-methyluracil16018-87-42,4(1H,3H)-Pyrimidinedione, 5-chloro-6-methyl-NSC 26542AI3-26569DTXSID70166829RefChem:442677DTXCID3089320633-918-05-Chloro-6-methylpyrimidine-2,4(1H,3H)-dione5-chloro-6-methyl-1H-pyrimidine-2,4-dioneMFCD00466419
Show more names
SKL1602,4-Pyrimidinediol,5-chloro-6-methyl-5-CHLORO-2,4-DIHYDROXY-6-METHYLPYRIMIDINE
NSC265425-Chloro-6-methyl-2,4-pyrimidinediol5-chloro-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione5-chloro-6-methylpyrimidine-2,4-diolSCHEMBL2888237SCHEMBL109661042,4(1H,3H)-Pyrimidinedione,NSC-26542
Database identifiers
- CAS
16018-87-4- PubChem CID
- 95268
- DTXSID
DTXSID70166829- EC Number
- 633-918-0
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 330 · 330-332 °C (decomp)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 7.83 · 7.83±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2,4(1H,3H)-pyrimidinedione, 5-chloro-6-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses5-Chloro-6-methyluracil is used in preparation of herbicide.
Related reactions
2 records
Compound notes
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