Basic information
- CAS
1003-56-1- Standard SMILES
Cc1ccc[nH]c1=O- InChIKey
MVKDNXIKAWKCCS-UHFFFAOYSA-N- Molecular formula
- C6H7NO
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.05276384
Overview
3-Methyl-1,2-dihydropyridin-2-one is a member of methylpyridines.
Names & identifiers
- Preferred name
- 2-Hydroxy-3-methylpyridine
- IUPAC
- 3-methyl-1H-pyridin-2-one
- English name
- 3-Methyl-2-pyridone
- Molecular formula
- C6H7NO
- Molecular weight
- 109.13
Names & synonyms
2-Hydroxy-3-methylpyridine1003-56-13-Methyl-2-pyridoneVM19FN4HHVNSC-4343DTXSID50143118RefChem:503719DTXCID9065609213-710-23-methylpyridin-2-ol91914-04-43-methylpyridin-2(1H)-one
Show more names
AKOS BBS-000029682-Hydroxy-3-Piocoline3-Methyl-2-pyridone>
3-methyl-1H-pyridin-2-one2(1H)-Pyridinone, 3-methyl-3-Methyl-2-pyridinol3-Methyl-2-pyridinoneMFCD000397042-HYDROXY-3-PICOLINEMethylpyridon3-methyl-2-hydroxypyridine
Database identifiers
- CAS
1003-56-1- PubChem CID
- 70481
- DTXSID
DTXSID50143118- ChEMBL
CHEMBL4548076- ChEBI
CHEBI:194930- UNII
- VM19FN4HHV
- EC Number
- 213-710-2
- Nikkaji
- J110.367I、J3.735.110E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 139 · 139-141 °C
- Boiling point
- 204.59 °C · 204.59°C (rough estimate)
- Density
- 1.1143 · 1.1143 (rough estimate)
- refractive index
- 1.5444 · 1.5444 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in methanol.
- pka
- 12.61 · 12.61±0.10(Predicted)
- form
- powder to crystal
- color
- White to Orange to Green
- BRN
- 1422044 · 1422044
- InChI
- InChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)
- InChIKey
- MVKDNXIKAWKCCS-UHFFFAOYSA-N
- SMILES
- C1(=O)NC=CC=C1C
- CAS DataBase Reference
- 1003 · 1003-56-1(CAS DataBase Reference)
- FDA UNII
- 19 FN4HHV · VM19FN4HHV
- NIST Chemistry Reference
- 2 · 2(1H)-pyridinone, 3-methyl-(1003-56-1)
- Symbol(GHS)
- 6 · GHS06,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319-H302-H315-H318-H335
- Precautionary statements
- 280 a-P301+P310a-P405-P501a-P261-P280-P305+P351+P338 · P280a-P301+P310a-P405-P501a-P261-P280-P305+P351+P338
- Hazard Codes
- Xn,Xi
- Risk Statements
- 36 · 36/37/38-20/21/22-41-37/38-22
- Safety Statements
- 36 · 36/37/39-26-22-36
- WGK Germany
- 3 · 3
- HS Code
- 29333995 · 29333995
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 (97.8%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)
Safety data
- wgk
- 3
- hs_code
- 29333995
- risk_code
- 36/37/38-20/21/22-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS05,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 36/37/39-26-22-36
- Hazard statements
- H301-H319-H302-H315-H318-H335
- Precautionary statements
- P280a-P301+P310a-P405-P501a-P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses3-Methyl-2-pyridone, is used as a reactant with chloro-methoxy-methane to produce 1-methoxymethyl-3-methyl-1H-pyridin-2-one. This reaction will need reagent solvent CH2Cl2. The reaction time is 24 hours with ambient temperature
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [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]
韶远科技（上海）有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南通萧畅医药贸易有限公司0513-82104991 15716298942 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
河北松辰医药科技有限公司0319-5801333-8008 15630992918 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
济南德信佳生物科技有限公司0531-82375818 15064153060 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
苏州安尼康药物研发有限公司0512-69369885 · [email protected]
石家庄琪跃化工有限公司15369111890 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海澄拓化工科技有限公司021-59904146 18001826933 · [email protected]
上海洽凡生化科技有限公司+86-021-61654350 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Changzhou Fullone Chemical Co., Ltd.+86-13328197671 +86-13861172460 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
Additional notes
DefinitionChEBI: 3-Methyl-1,2-dihydropyridin-2-one is a member of methylpyridines.
Related reactions
20 records
Compound notes
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