2-Butoxy-7,10-dichlorobenzo(b)-1,5-naphthyridine
Basic information
- CAS
6940-92-7- Standard SMILES
CCCCOc1ccc2nc3cc(Cl)ccc3c(Cl)c2n1- InChIKey
WWVCYITZVMBKKZ-UHFFFAOYSA-N- Molecular formula
- C16H14Cl2N2O
- Average molar mass
- 321.2 g/mol
- Monoisotopic mass
- 320.0483185
Overview
structure
Names & identifiers
- Preferred name
- 2-Butoxy-7,10-dichlorobenzo(b)-1,5-naphthyridine
- IUPAC
- 2-butoxy-7,10-dichlorobenzo[b][1,5]naphthyridine
- English name
- 1-Aza-2-n-butoxy-6,9-dichloro-acridine
- Molecular formula
- C16H14Cl2N2O
- Molecular weight
- 321.2
Names & synonyms
6940-92-7WR 10488WR 10,4882-N-Butoxy-7,10-dichloropyrido(3,2-b)quinoline2-Butoxy-7,10-dichlorobenzo(b)-1,5-naphthyridine2-Butoxy-7,10-dichlorobenzo[b]-1,5-naphthyridineRefChem:4680742-butoxy-7,10-dichlorobenzo[b][1,5]naphthyridineXKZ5N5BVN61-AZA-2-n-BUTOXY-6,9-DICHLORO-ACRIDINENSC-60420NSC-97580
Show more names
Benzo[b]-1,5-naphthyridine, 2-butoxy-7,10-dichloro-
WR-104882-butoxy-7,10-dichloropyrido(3,2-B)quinoline2-BUTOXY-7,10-DICHLOROBENZO[B]1,5-NAPHTHYRIDINENSC60420NSC 60420NSC 97580UNII-XKZ5N5BVN6BIDD:GT0718
Database identifiers
- CAS
6940-92-7- PubChem CID
- 96226
- DTXSID
DTXSID80989228- UNII
- XKZ5N5BVN6
- EC Number
- 636-214-1
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 127 · 127-128 °C(Solv: acetone (67-64-1))
- Boiling point
- 462.6 · 462.6±40.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- pka
- 0.47 · 0.47±0.40(Predicted)
- FDA UNII
- 5 N5BVN6 · XKZ5N5BVN6
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 318 · H318-H301-H315-H335-H413
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Hazard statements
- H318-H301-H315-H335-H413
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501-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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