(NE)-N-[(4-methoxyphenyl)methylidene]-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Basic information
- CAS
380151-91-7- Standard SMILES
COc1ccc(C=Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)cc1- InChIKey
OKCWNDNFJLMDKV-UHFFFAOYSA-N- Molecular formula
- C20H24BNO3
- Average molar mass
- 337.2 g/mol
- Monoisotopic mass
- 337.1849238
Names & identifiers
- Preferred name
- (NE)-N-[(4-methoxyphenyl)methylidene]-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- IUPAC
- 1-(4-methoxyphenyl)-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine
- English name
- (4-Methoxy-benzylidene)-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amine
- Molecular formula
- C20H24BNO3
- Molecular weight
- 337.22
Names & synonyms
(NE)-N-[(4-methoxyphenyl)methylidene]-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline(NE)-N-((4-methoxyphenyl)methylidene)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)anilineRefChem:406694805-548-1380151-91-7(E)-N-(4-Methoxybenzylidene)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline1-(4-methoxyphenyl)-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimineMFCD11113043(E)-3-(4-methoxybenzylideneamino)phenylboronic acid, pinacol ester(E)-1-(4-Methoxyphenyl)-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanimine(E)-1-(4-Methoxyphenyl)-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimineDTXSID70454450
Show more names
Reaxys ID: 90656533-(4-METHOXYBENZYLIDINEAMINO)BENZENEBORONIC ACID PINACOL ESTER3-(4-Methoxybenzylidine)-3-aminophenylboronic acid pinacol ester(4-Methoxy-benzylidene)-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amineBenzenamine, N-[(4-methoxyphenyl)methylene]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Properties
Computed structural properties
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Boiling point
- 483.1 · 483.1±30.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.87 · 3.87±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H312-H302
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
- HS Code
- 2931900090 · 2931900090
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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%)
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H312-H302
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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