Basic information
- CAS
111075-90-2- Standard SMILES
CC(=O)NNC(=O)Nc1cccc(Cl)c1- InChIKey
ZLROJCVFLQMOEV-UHFFFAOYSA-N- Molecular formula
- C9H10ClN3O2
- Average molar mass
- 227.65 g/mol
- Monoisotopic mass
- 227.0461543
Names & identifiers
- Preferred name
- 1-Acetyl-4-(3-chlorophenyl)semicarbazide
- IUPAC
- 1-acetamido-3-(3-chlorophenyl)urea
Names & synonyms
1-ACETYL-4-(3-CHLOROPHENYL)SEMICARBAZIDE111075-90-2DTXSID00408128RefChem:227308DTXCID30358980665-393-91-acetamido-3-(3-chlorophenyl)ureaAKOS0038516692-Acetyl-N-(3-chlorophenyl)hydrazinecarboxamide2-Acetyl-N-(3-chlorophenyl)hydrazine-1-carboxamide
Database identifiers
- CAS
111075-90-2- PubChem CID
- 5080174
- DTXSID
DTXSID00408128- EC Number
- 665-393-9
- Nikkaji
- J1.556.971I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Experimental & physicochemical properties
LogP1.28
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, 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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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