Basic information
- CAS
64699-76-9- Standard SMILES
Cc1ccc(NC(=O)Nc2ncccn2)cc1Cl- InChIKey
YLLAZBVNZTUCKV-UHFFFAOYSA-N- Molecular formula
- C12H11ClN4O
- Average molar mass
- 262.69 g/mol
- Monoisotopic mass
- 262.0621387
Names & identifiers
- Preferred name
- 1-(3-Chloro-4-methylphenyl)-3-(2-pyrimidinyl)urea
- IUPAC
- 1-(3-chloro-4-methylphenyl)-3-pyrimidin-2-ylurea
- English name
- 1-(3-Chloro-4-methylphenyl)-3-(2-pyrimidinyl)urea
- Molecular formula
- C12H11ClN4O
- Molecular weight
- 262.69494
Names & synonyms
64699-76-91-(3-CHLORO-4-METHYLPHENYL)-3-(2-PYRIMIDINYL)UREARefChem:423567659-611-11-(3-chloro-4-methylphenyl)-3-(pyrimidin-2-yl)ureaAKOS024340506
Database identifiers
- CAS
64699-76-9- PubChem CID
- 4615302
- EC Number
- 659-611-1
- Nikkaji
- J2.006.093J
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 283
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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]
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
- H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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