N-(4-Chlorobenzylidene)-M-toluidine
Basic information
- CAS
99484-19-2- Standard SMILES
Cc1cccc(N=Cc2ccc(Cl)cc2)c1- InChIKey
INDRVKPWDCDORT-UHFFFAOYSA-N- Molecular formula
- C14H12ClN
- Average molar mass
- 229.7 g/mol
- Monoisotopic mass
- 229.0658271
Names & identifiers
- Preferred name
- N-(4-Chlorobenzylidene)-M-toluidine
- IUPAC
- 1-(4-chlorophenyl)-N-(3-methylphenyl)methanimine
- English name
- N-(4-Chlorobenzylidene)-m-toluidine
- Molecular formula
- C14H12ClN
- Molecular weight
- 229.71
Names & synonyms
99484-19-2N-(4-CHLOROBENZYLIDENE)-M-TOLUIDINERefChem:827423667-163-3p-chlorobenzylidene-(3-methylphenyl)-amineN-(4-Chlorobenzylidene)-3-methylanilineINDRVKPWDCDORT-UHFFFAOYSA-NDTXSID701376912AKOS024335159(E)-N-(4-chlorobenzylidene)-3-methylanilineBenzenamine, N-[(4-chlorophenyl)methylene]-3-methyl-
Database identifiers
- CAS
99484-19-2- PubChem CID
- 525680
- DTXSID
DTXSID701376912- EC Number
- 667-163-3
- Nikkaji
- J3.559.450G
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 231
Physicochemical properties
- Melting point
- 190 °C · 190 °C(Solv: ethanol (64-17-5))
- Boiling point
- 359.7 · 359.7±35.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 2.82 · 2.82±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H410
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-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, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H410
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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