4-Chlorobenzaldehyde semicarbazone
Basic information
- CAS
5315-86-6- Standard SMILES
NC(=O)N/N=C/c1ccc(Cl)cc1- InChIKey
RCWJOUWRVQTCSW-VZUCSPMQSA-N- Molecular formula
- C8H8ClN3O
- Average molar mass
- 197.62 g/mol
- Monoisotopic mass
- 197.0355896
Names & identifiers
- Preferred name
- 4-Chlorobenzaldehyde semicarbazone
- IUPAC
- [(E)-(4-chlorophenyl)methylideneamino]urea
Names & synonyms
4-chlorobenzaldehyde semicarbazoneRefChem:521928657-053-35315-86-62-(4-chlorobenzylidene)hydrazinecarboxamideNSC634797[(4-chlorophenyl)methylideneamino]urea[(E)-(4-chlorophenyl)methylideneamino]ureap-cholro-phenylsemicarbazoneCHEMBL72027SCHEMBL17560882CCG-188
Show more names
NSC34523NSC-34523AKOS000304361NSC-634797[(E)-(4-chlorophenyl)methyleneamino]ureaST110098AN-308/40151982(E)-[(4-CHLOROPHENYL)METHYLIDENE]AMINOUREA
Database identifiers
- CAS
5315-86-6- PubChem CID
- 9566093
- ChEMBL
CHEMBL72027- EC Number
- 657-053-3
- Nikkaji
- J556.258I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
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]
P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, 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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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