2-(((4-Iodophenyl)imino)methyl)-6-methoxyphenol
Basic information
- CAS
3382-68-1- Standard SMILES
COc1cccc(C=Nc2ccc(I)cc2)c1O- InChIKey
BTSADZVEHYYJKP-UHFFFAOYSA-N- Molecular formula
- C14H12INO2
- Average molar mass
- 353.15 g/mol
- Monoisotopic mass
- 352.99128
Names & identifiers
- Preferred name
- 2-(((4-Iodophenyl)imino)methyl)-6-methoxyphenol
- IUPAC
- 2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol
- English name
- 2-{[(4-iodophenyl)imino]methyl}-6-methoxyphenol
- Molecular formula
- C14H12INO2
- Molecular weight
- 353.16
Names & synonyms
3382-68-12-[[(4-Iodophenyl)imino]methyl]-6-methoxyphenol2-{[(4-iodophenyl)imino]methyl}-6-methoxyphenol2-(((4-Iodophenyl)imino)methyl)-6-methoxyphenolRefChem:249076(e)-2-(((4-iodophenyl)imino)methyl)-6-methoxyphenolCOc1cccc(c1O)C=Nc1ccc(cc1)IDTXSID301245296MFCD00028842STK028354AKOS000483158AKOS030483804
Show more names
1381771-90-9ST035644ZINC0000182855312((E)((4iodophenyl)imino)methyl)6methoxyphenol2-[(1E)-2-(4-iodophenyl)-2-azavinyl]-6-methoxyphenol(E)-2-(((4-Iodophenyl)imino)methyl)-6-methoxyphenol, AldrichCPR5282-63-3
Database identifiers
- CAS
3382-68-1- PubChem CID
- 428984
- DTXSID
DTXSID301245296- EC Number
- 666-127-4
- Nikkaji
- J2.412.162C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 445.743 · 445.743±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.561 · 1.561±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.191 · 8.191±0.35(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H411-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H315-H335-H411-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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