Basic information
- CAS
5330-43-8- Standard SMILES
Clc1ccc(C=Nc2ccccc2)c(Cl)c1- InChIKey
SINQMFOWBAZMNV-UHFFFAOYSA-N- Molecular formula
- C13H9Cl2N
- Average molar mass
- 250.12 g/mol
- Monoisotopic mass
- 249.0112047
Names & identifiers
- Preferred name
- N-(2,4-Dichlorobenzylidene)aniline
- IUPAC
- 1-(2,4-dichlorophenyl)-N-phenylmethanimine
Names & synonyms
5330-43-8N-(2,4-Dichlorobenzylidene)anilineRefChem:823913667-110-4N-[(E)-(2,4-dichlorophenyl)methylidene]aniline1-(2,4-dichlorophenyl)-N-phenylmethanimineNSC2473Aniline,N-(2,4-dichlorobenzylidene)-2,4-dichlorobenzylideneanilineAniline,4-dichlorobenzylidene)-CHEMBL2397690SCHEMBL10743221
Show more names
SCHEMBL10743224SCHEMBL31241344DTXSID00277472NSC-2473STK390970AKOS005432208Benzenamine,4-dichlorophenyl)methylene]-DA-42175
Database identifiers
- CAS
5330-43-8- PubChem CID
- 220149
- DTXSID
DTXSID00277472- ChEMBL
CHEMBL2397690- EC Number
- 667-110-4
- Nikkaji
- J941.472J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
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, P273, P301+P317, P330, P391, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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