Basic information
- CAS
16665-38-6- Standard SMILES
COc1ccnc(CO)c1- InChIKey
GBMRUSRMPOUVEK-UHFFFAOYSA-N- Molecular formula
- C7H9NO2
- Average molar mass
- 139.15 g/mol
- Monoisotopic mass
- 139.06332853
Names & identifiers
- Preferred name
- (4-Methoxy-pyridin-2-yl)-methanol
- IUPAC
- (4-methoxy-2-pyridinyl)methanol
- English name
- (4-METHOXY-PYRIDIN-2-YL)-METHANOL
- Molecular formula
- C7H9NO2
- Molecular weight
- 139.15
Names & synonyms
(4-Methoxy-pyridin-2-yl)-methanolRefChem:402938803-208-7(4-methoxypyridin-2-yl)methanol16665-38-62-PYRIDINEMETHANOL, 4-METHOXY-4-METHOXY-2-PYRIDINEMETHANOLMFCD077741004-METHOXY-2-HYDROXYMETHYLPYRIDINE4-METHOXYPYRIDINE-2-METHANOL2-Pyridinemethanol,4-methoxy-(4-methoxy-2-pyridyl)methanol
Show more names
Zinc04352699CHEMPACIFIC 38146
2-(Hydroxyme2-(Hydroxymethyl)-4-methoxypyridine4-methoxypyrid-2-ylmethanolSCHEMBL245100SCHEMBL7674585SCHEMBL29694712(4-methoxy-2-pyridinyl)methanolDTXSID20445272
Database identifiers
- CAS
16665-38-6- PubChem CID
- 10820596
- DTXSID
DTXSID20445272- EC Number
- 803-208-7
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97.6
Physicochemical properties
- Melting point
- 69 · 69-70°C
- Boiling point
- 125 · 125-130℃ (3 Torr)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- pka
- 13.22 · 13.22±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C7H9NO2/c1-10-7-2-3-8-6(4-7)5-9/h2-4,9H,5H2,1H3
- InChIKey
- GBMRUSRMPOUVEK-UHFFFAOYSA-N
- SMILES
- COc1ccnc(CO)c1
- CAS DataBase Reference
- 16665 · 16665-38-6
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers76 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
18 records
Compound notes
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