Basic information
- CAS
78095-94-0- Standard SMILES
Cc1c(Cl)cccc1N=Cc1cc(Cl)cc(Cl)c1O- InChIKey
PDCNGLCVKKCUDQ-UHFFFAOYSA-N- Molecular formula
- C14H10Cl3NO
- Average molar mass
- 314.6 g/mol
- Monoisotopic mass
- 312.982797
Names & identifiers
- Preferred name
- (E)-2,4-dichloro-6-(((3-chloro-2-methylphenyl)imino)methyl)phenol
- IUPAC
- 2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol
- English name
- 2,4-dichloro-6-{[(3-chloro-2-methylphenyl)imino]methyl}phenol
- Molecular formula
- C14H10Cl3NO
- Molecular weight
- 314.59
Names & synonyms
78095-94-0(E)-2,4-dichloro-6-(((3-chloro-2-methylphenyl)imino)methyl)phenolSTK043485AKOS000483402ST0096042,4-dichloro-6-{(E)-[(3-chloro-2-methylphenyl)imino]methyl}phenol2,4-DICHLORO-6-((3-CHLORO-2-METHYL-PHENYLIMINO)-METHYL)-PHENOL2-[(1E)-2-(3-chloro-2-methylphenyl)-2-azavinyl]-4,6-dichlorophenol2,4-dichloro-6-{[(3-chloro-2-methylphenyl)imino]methyl}phenolPhenol, 2,4-dichloro-6-[[(3-chloro-2-methylphenyl)imino]methyl]-
Database identifiers
- CAS
78095-94-0- PubChem CID
- 690787
- EC Number
- 141-520-9
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 146 °C · 146 °C
- Boiling point
- 446.1 · 446.1±45.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 6.26 · 6.26±0.48(Predicted)
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, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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