N-(4-methoxybenzylidene)aniline
Basic information
- CAS
836-41-9- Standard SMILES
COc1ccc(C=Nc2ccccc2)cc1- InChIKey
MSWPGMRTURVKRJ-UHFFFAOYSA-N- Molecular formula
- C14H13NO
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.09971404
Names & identifiers
- Preferred name
- N-(4-methoxybenzylidene)aniline
- IUPAC
- 1-(4-methoxyphenyl)-N-phenylmethanimine
- English name
- N-(4-METHOXYBENZYLIDENE)ANILINE
- Molecular formula
- C14H13NO
- Molecular weight
- 211.26
Names & synonyms
N-(4-Methoxybenzylidene)aniline836-41-9N-p-Anisylideneaniline4-Methoxybenzylideneanilinep-methoxybenzylidene-phenyl-amineEINECS 212-647-84-Methoxybenzyliden-anilinNSC 155535Benzenamine, N-((4-methoxyphenyl)methylene)-Benzenamine, N-[(4-methoxyphenyl)methylene]-RefChem:162174212-647-8
Show more names
Anisalanilinep-anisaldehyde anil4'-MethoxybenzalanilineN-(P-ANISYLIDENE)ANILINEn-(4-methoxybenzal)aniline4'-METHOXYBENZYLIDENEANILINEN-(P-METHOXYBENZYLIDENE)ANILINE
MSWPGMRTURVKRJ-RVDMUPIBSA-NMSWPGMRTURVKRJ-UHFFFAOYSA-N1613-96-31-(4-methoxyphenyl)-N-phenylmethanimine(E)-N-(4-Methoxybenzylidene)aniline(1E)-1-(4-methoxyphenyl)-N-phenylmethanimineN-(p-Anisal)aniline1-(4-methoxyphenyl)-N-phenyl-methanimine
Database identifiers
- CAS
836-41-9- PubChem CID
- 98633
- DTXSID
DTXSID901303305- ChEMBL
CHEMBL4475486- EC Number
- 212-647-8
- Nikkaji
- J151.162I、J756.784G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 213
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Physicochemical properties
- Melting point
- 63 · 63-67 °C
- Boiling point
- 339 · 339.0±25.0 °C(Predicted)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- solubility
- almost transparency in Methanol
- form
- powder to crystal
- pka
- 3.87 · 3.87±0.30(Predicted)
- color
- White to Light red to Green
- BRN
- 642337 · 642337
- InChI
- 1S/C14H13NO/c1-16-14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-11H,1H3/b15-11+
- InChIKey
- MSWPGMRTURVKRJ-RVDMUPIBSA-N
- SMILES
- COc1ccc(cc1)\C=N\c2ccccc2
- CAS DataBase Reference
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 3077 9/PG 3
- hs_code
- 2925.29.9000
- risk_code
- 36/37/38-51/53-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,N
- safety_code
- 26-36-61
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
2 records
Compound notes
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