Basic information
- CAS
22346-75-4- Standard SMILES
[O-][n+]1ccc(CO)cc1- InChIKey
ZJGXPKKVSNSGRJ-UHFFFAOYSA-N- Molecular formula
- C6H7NO2
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.04767846
Names & identifiers
- Preferred name
- 4-Pyridylmethanol N-oxide
- IUPAC
- (1-oxidopyridin-1-ium-4-yl)methanol
- English name
- 4-Pyridylcarbinol N-oxide
- Molecular formula
- C6H7NO2
- Molecular weight
- 125.13
Names & synonyms
22346-75-44-Pyridylmethanol N-oxideDTXSID401768794-pyridinemethanol, 1-oxideEINECS 244-926-5RefChem:526658DTXCID4099370244-926-54-Pyridylcarbinol N-oxide4-(Hydroxymethyl)pyridine 1-oxide(1-oxidopyridin-1-ium-4-yl)methanol4-hydroxymethylpyridine-N-oxide
Show more names
RARECHEM AL BD 07684-Pyridylcarbinol N<Telmisartan Impurity 604-Pyridinemethanol 1-oxide4-PYRIDINEMETHANOL N-OXIDE4-Pyridylcarbinol N-oxide,97%4-PYRIDYLCARBINOL N-OXIDE 97%
4-(hydroxymethyl)pyridin-1-ium-1-olateSCHEMBL9044274-(hydroxymethyl)pyridin-1-ol4-hydroxymethylpyridine N-oxide4-(Hydroxymethyl)pyridine1-oxide4-Pyridylcarbinol N-oxide, 98%ZJGXPKKVSNSGRJ-UHFFFAOYSA-NMFCD00006211
Database identifiers
- CAS
22346-75-4- PubChem CID
- 89666
- DTXSID
DTXSID40176879- EC Number
- 244-926-5
- Nikkaji
- J285.487B
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 79.1
Physicochemical properties
- Melting point
- 124 · 124-127 °C(lit.)
- Boiling point
- 232.57 °C · 232.57°C (rough estimate)
- Density
- 1.25 · 1.2500 (rough estimate)
- refractive index
- 1.489 · 1.4890 (estimate)
- pka
- 13.33 · 13.33±0.10(Predicted)
- form
- crystals
- InChI
- 1S/C6H7NO2/c8-5-6-1-3-7(9)4-2-6/h1-4,8H,5H2
- InChIKey
- ZJGXPKKVSNSGRJ-UHFFFAOYSA-N
- SMILES
- OCc1cc[n+]([O-])cc1
- 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-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
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, 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 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 CategoriesSkin Irrit. 2 (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
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers36 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
2 records
Compound notes
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