N-Vanillylidene-2,4-xylidine
Basic information
- CAS
75241-32-6- Standard SMILES
COc1cc(C=Nc2ccc(C)cc2C)ccc1O- InChIKey
QFGLIEJJTFWIAW-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- N-Vanillylidene-2,4-xylidine
- IUPAC
- 4-[(2,4-dimethylphenyl)iminomethyl]-2-methoxyphenol
- English name
- N-Vanillylidene-2,4-xylidine
- Molecular formula
- C16H17NO2
- Molecular weight
- 255.31
Names & synonyms
N-VANILLYLIDENE-2,4-XYLIDINERefChem:83121275241-32-6652-141-84-{[(2,4-dimethylphenyl)imino]methyl}-2-methoxyphenol4-[(E)-[(2,4-Dimethylphenyl)imino]methyl]-2-methoxyphenol4-{(E)-[(2,4-dimethylphenyl)imino]methyl}-2-methoxyphenolCBMicro_0133921123671-39-5SMSF0004393STK023338(4E)-4-[(2,4-dimethylanilino)methylidene]-2-methoxycyclohexa-2,5-dien-1-one
Show more names
Phenol, 4-[[(2,4-dimethylphenyl)imino]methyl]-2-methoxy-
AKOS000483264CB04795ST035791BIM-0013423.P001AN-329/404053234-[(2,4-dimethylphenyl)iminomethyl]-2-methoxyphenol4-[(1E)-2-(2,4-dimethylphenyl)-2-azavinyl]-2-methoxyphenol
Database identifiers
- CAS
75241-32-6- PubChem CID
- 693352
- EC Number
- 652-141-8
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 142 °C · 142 °C(Solv: methanol (67-56-1))
- Boiling point
- 424.9 · 424.9±45.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 8.78 · 8.78±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H410-H315
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H335-H319-H410-H315
- Precautionary statements
- P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…