Basic information
- CAS
207511-18-0- Standard SMILES
COc1cc[n+]([O-])cc1.O- InChIKey
ABJMARLKAXBQBC-UHFFFAOYSA-N- Molecular formula
- C6H9NO3
- Average molar mass
- 143.14 g/mol
- Monoisotopic mass
- 143.05824315
Names & identifiers
- Preferred name
- 4-Methoxypyridine N-oxide hydrate
- IUPAC
- 4-methoxy-1-oxidopyridin-1-ium;hydrate
- English name
- 4-METHOXYPYRIDINE-N-OXIDE HYDRATE, 99
- Molecular formula
- C6H9NO3
- Molecular weight
- 143.14
Names & synonyms
4-Methoxypyridine N-oxide hydrate207511-18-0RefChem:524830624-551-74-Methoxypyridine 1-oxide xhydrate4-Methoxypyridine-N-oxide hydrateMFCD001494104-METHOXYPYRIDINE-N-OXIDE HYDRATE, 994-Methoxypyridine 1-oxide hydrate4-methoxy-1-oxidopyridin-1-ium;hydrateSCHEMBL6656934-MethoxypyridineN-oxidehydrate
Show more names
4-Methoxypyridine NN-oxide hydrate4-Methoxypyridine-N-oxide hydrate, 99% 5GRPyridine, 4-methoxy-, 1-oxide, hydrate (1:?)
4-Methoxypyridine-1-oxide hydrate304671-95-24-Methoxypyridine N-oxide hydrate, 97%4-methoxypyridin-1-ol, hydrateABJMARLKAXBQBC-UHFFFAOYSA-N[4-(Dimethylamino)phenyl]diphenylphos4-Methoxypyridine-N-oxide hydrate,99AKOS017344619
Database identifiers
- CAS
207511-18-0- PubChem CID
- 16212293
- EC Number
- 624-551-7
Properties
Computed structural properties
- Topological polar surface area
- 35.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 79
Physicochemical properties
- Melting point
- 78 · 78-81°C
- form
- solid
- Water Solubility
- Soluble in water.
- Sensitive
- Hygroscopic
- BRN
- 115212 · 115212
- InChI
- InChI=1S/C6H7NO2.H2O/c1-9-6-2-4-7(8)5-3-6;/h2-5H,1H3;1H2
- InChIKey
- ABJMARLKAXBQBC-UHFFFAOYSA-N
- SMILES
- O(C1=CC=N(=O)C=C1)C.O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses4-Methoxypyridine N-oxide hydrate may be used in chemical synthesis.
General Description4-Methoxypyridine N-oxide hydrate is a substituted pyridine N-oxide. It forms 1:1 complexes with MnCl2 and NiCl2 salts. Mechanism of reaction between 4-methoxypyridine N-oxide hydrate and bis(pinacolato) (diboron reagent) in CD3CN has been studied by NMR. It forms 1:1 complex with 2,4-dinitrophenol due to the formation of intermolecular hydrogen bond between the O-H and N-O groups.
Suppliers43 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
重庆科脉材料科技有限公司17830741407 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Related reactions
4 records
Compound notes
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