1-(3,4-Dichloro-phenyl)-3-pyrimidin-2-YL-urea
Basic information
- CAS
23656-32-8- Standard SMILES
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncccn1- InChIKey
OSSICTUDXQZNKN-UHFFFAOYSA-N- Molecular formula
- C11H8Cl2N4O
- Average molar mass
- 283.11 g/mol
- Monoisotopic mass
- 282.0075163
Names & identifiers
- Preferred name
- 1-(3,4-Dichloro-phenyl)-3-pyrimidin-2-YL-urea
- IUPAC
- 1-(3,4-dichlorophenyl)-3-pyrimidin-2-ylurea
- English name
- 1-(3,4-Dichloro-phenyl)-3-pyrimidin-2-yl-urea
- Molecular formula
- C11H8Cl2N4O
- Molecular weight
- 283.11
Names & synonyms
23656-32-81-(3,4-DICHLORO-PHENYL)-3-PYRIMIDIN-2-YL-UREARefChem:422761651-152-51-(3,4-dichlorophenyl)-3-(pyrimidin-2-yl)ureaAKOS024330893ST505434801-(3,4-dichlorophenyl)-3-pyrimidin-2-yl-ureaurea, N-(3,4-dichlorophenyl)-N'-2-pyrimidinyl-[(3,4-dichlorophenyl)amino]-N-pyrimidin-2-ylcarboxamide
Database identifiers
- CAS
23656-32-8- PubChem CID
- 3399609
- EC Number
- 651-152-5
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Density
- 1.571 · 1.571±0.06 g/cm3(Predicted)
- pka
- 11.39 · 11.39±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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