Basic information
- CAS
13603-44-6- Standard SMILES
Cc1cc(=O)cc(C)[nH]1- InChIKey
PRAFLUMTYHBEHE-UHFFFAOYSA-N- Molecular formula
- C7H9NO
- Average molar mass
- 123.15 g/mol
- Monoisotopic mass
- 123.06841391
Names & identifiers
- Preferred name
- 2,6-Dimethyl-4-pyridinol
- IUPAC
- 2,6-dimethyl-1H-pyridin-4-one
- English name
- 2,6-dimethyl-1H-pyridin-4-one
- Molecular formula
- C7H9NO
- Molecular weight
- 123.15
Names & synonyms
2,6-Dimethyl-4-Hydroxypyridine13603-44-62,6-Dimethylpyridin-4-ol4-hydroxy-2,6-dimethylpyridine2,6-Dimethyl-4-pyridinol4-Pyridinol, 2,6-dimethyl-92JKJ9S198EINECS 237-089-2NSC-1119324-HYDROXY-2,6-LUTIDINENSC 111932RefChem:445693
Show more names
2,6-diMethyl-4(1H)-Pyridinone4(1H)-Pyridinone,2,6-dimethyl4(1H)-Pyridinone, 2,6-dimethyl-
7516-31-62,6-dimethylpyridin-4(1H)-one2,6-dimethyl-1H-pyridin-4-one2,6-Dimethyl-4-hydroxy pyridine2,6-dimethyl-1,4-dihydropyridin-4-oneMFCD009560212,6-Dimethyl-4(1H)-pyridone4(1H)-Pyridinone,2,6-dimethyl-
Database identifiers
- CAS
13603-44-6、7516-31-6- PubChem CID
- 83609
- DTXSID
DTXSID70929234- ChEMBL
CHEMBL1429618- UNII
- 92JKJ9S198
- EC Number
- 237-089-2
- Nikkaji
- J277.954D、J952.958F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 225 °C · 225 °C
- Boiling point
- 220 · 220-225 °C(Press: 30 Torr)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- pka
- 12.25 · 12.25±0.69(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
常州市阿尔捷化工商贸有限公司13813686894 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
Related reactions
9 records
Compound notes
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