Basic information
- CAS
4053-40-1- Standard SMILES
Cc1cc[n+]([O-])c2ccccc12- InChIKey
BKKKHCJYHYPKBC-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Names & identifiers
- Preferred name
- 4-Methylquinolin-1-ium-1-olate
- IUPAC
- 4-methyl-1-oxidoquinolin-1-ium
- English name
- 4-Methylquinoline 1-oxide
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
4-METHYLQUINOLIN-1-IUM-1-OLATERefChem:525713832-372-24-Methylquinoline 1-oxide4053-40-14-methyl-1-oxidoquinolin-1-iumMFCD017163184-Methylquinoline N-oxideSCHEMBL3393084SCHEMBL5784218EAA05340AC8129
Show more names
Lepidine N-oxideLepidine 1-oxideBedaquiline Impurity 584-Methylquinoline oxideQuinoline, 4-methyl-, 1-oxide
SY179427EN300-42294
Database identifiers
- CAS
4053-40-1- PubChem CID
- 19968
- DTXSID
DTXSID401308079- EC Number
- 832-372-2
- Nikkaji
- J85.345C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 121 °C · 121 °C
- Boiling point
- 284.68 °C · 284.68°C (rough estimate)
- Density
- 1.1202 · 1.1202 (rough estimate)
- refractive index
- 1.546 · 1.5460 (estimate)
- pka
- 1.78 · 1.78±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H312-H335-H302-H319-H332
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H312-H335-H302-H319-H332
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers9 total
武汉布林科技有限公司3456065315 13260619011 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
济南凯西生物科技有限公司13370511208 15853141736 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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