Nsc158630
Basic information
- CAS
3230-63-5- Standard SMILES
Oc1ccc2ccccc2c1C=Nc1ccc(Br)cc1- InChIKey
PXLPAZKKRLOYAO-UHFFFAOYSA-N- Molecular formula
- C17H12BrNO
- Average molar mass
- 326.2 g/mol
- Monoisotopic mass
- 325.01023
Names & identifiers
- Preferred name
- Nsc158630
- IUPAC
- 1-[(4-bromophenyl)iminomethyl]naphthalen-2-ol
- English name
- 1-(4-Bromophenyliminomethyl)-2-naphthol
- Molecular formula
- C17H12BrNO
- Molecular weight
- 326.19
Names & synonyms
3230-63-5NSC1586301-(4-Bromophenyliminomethyl)-2-naphtholDTXSID10418834RefChem:854823DTXCID20369681653-544-11-[(4-Bromo-phenylimino)-methyl]-naphthalen-2-ol1-[(E)-[(4-bromophenyl)imino]methyl]naphthalen-2-ol1-(((4-Bromophenyl)imino)methyl)naphthalen-2-olMFCD00021565SCHEMBL21810701
Show more names
2-Naphthalenol, 1-[[(4-bromophenyl)imino]methyl]-
PXLPAZKKRLOYAO-YBFXNURJSA-NAKOS003670899AKOS016038008NSC-158630ST106609ST451381231-[(4-bromophenyl)iminomethyl]naphthalen-2-ol1-{[(4-Bromophenyl)imino]-methyl}-2-naphthol
Database identifiers
- CAS
3230-63-5- PubChem CID
- 292702
- DTXSID
DTXSID10418834- EC Number
- 653-544-1
- Nikkaji
- J3.661.679B、J889.762J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Melting point
- 163 °C · 163 °C
- Boiling point
- 491.9 · 491.9±30.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 7.83 · 7.83±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H411
- Precautionary statements
- 264 · 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
- H315-H319-H335-H411
- Precautionary statements
- 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
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