1-(3-Chloro-4-methylphenyl)-3-hydroxyurea
Basic information
- CAS
89981-28-2- Standard SMILES
Cc1ccc(NC(=O)NO)cc1Cl- InChIKey
MALCQLIRGLSWGK-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2O2
- Average molar mass
- 200.62 g/mol
- Monoisotopic mass
- 200.0352552
Names & identifiers
- Preferred name
- 1-(3-Chloro-4-methylphenyl)-3-hydroxyurea
- IUPAC
- 1-(3-chloro-4-methylphenyl)-3-hydroxyurea
- English name
- 1-(3-Chloro-4-methylphenyl)-3-hydroxyurea
- Molecular formula
- C8H9ClN2O2
- Molecular weight
- 200.62
Names & synonyms
1-(3-chloro-4-methylphenyl)-3-hydroxyureaRefChem:423570633-064-989981-28-2Urea, N-(3-chloro-4-methylphenyl)-N'-hydroxy-N-(3-chloro-4-methylphenyl)-N'-hydroxyureaDTXSID00399148AKOS024337136
Database identifiers
- CAS
89981-28-2- PubChem CID
- 4085653
- DTXSID
DTXSID00399148- EC Number
- 633-064-9
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Density
- 1.427 · 1.427±0.06 g/cm3(Predicted)
- pka
- 9.71 · 9.71±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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