Basic information
- CAS
694-85-9- Standard SMILES
Cn1ccccc1=O- InChIKey
DVVGIUUJYPYENY-UHFFFAOYSA-N- Molecular formula
- C6H7NO
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.05276384
Overview
1-Methyl-2-pyridone is a pyridone.
Names & identifiers
- Preferred name
- 1-Methyl-2(1H)-pyridinone
- IUPAC
- 1-methylpyridin-2-one
- English name
- 1-Methyl-2-pyridone
- Molecular formula
- C6H7NO
- Molecular weight
- 109.13
Names & synonyms
1-Methyl-2-pyridone694-85-9N-Methyl-2-pyridone1-Methyl-2(1H)-pyridinone1-Methyl-2-pyridinone2(1H)-Pyridinone, 1-methyl-NY6MVO4K7RNSC-9383DTXSID8061008RefChem:830405DTXCID6046501211-777-2
Show more names
N-METHYL-PYRIDONE-21-methyl-2(1h)-pyridon1-Methyl-2-oxopyridine
1-methylpyridin-2(1H)-one1-methylpyridin-2-oneN-Methylpyridone1-Methyl-2(1H)-pyridone2(1H)-PYRIDONE, 1-METHYL-NSC 93831-Methyl-1,2-dihydro-2-pyridinoneMFCD00006520
Database identifiers
- CAS
694-85-9、94071-56-4- PubChem CID
- 12755
- DTXSID
DTXSID8061008- ChEMBL
CHEMBL12607- ChEBI
CHEBI:194916- UNII
- NY6MVO4K7R
- EC Number
- 211-777-2
- Nikkaji
- J1.774.773H、J66.653J
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.06 [mmHg]
Physical DescriptionLiquid; mp = 30-32 deg C; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 30 · 30-32 °C(lit.)
- Boiling point
- 250 °C740 · 250 °C740 mm Hg(lit.)
- Density
- 1.129 g/mL · 1.129 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.569
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 0.3 · 0.30±0.62(Predicted)
- color
- Red
- Water Solubility
- Soluble in water (1000 mg/ml at 20°C).
- BRN
- 107805 · 107805
- InChI
- 1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3
- InChIKey
- DVVGIUUJYPYENY-UHFFFAOYSA-N
- SMILES
- CN1C=CC=CC1=O
- CAS DataBase Reference
- 694 · 694-85-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 MVO4K7R · NY6MVO4K7R
- NIST Chemistry Reference
- 2 · 2(1H)-Pyridinone, 1-methyl-(694-85-9)
- EPA Substance Registry System
- 2 · 2(1H)-Pyridinone, 1-methyl- (694-85-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- RTECS
- 1148100 · UV1148100
- F
- 10 · 10-21
- TSCA
- TSCA listed
- HS Code
- 29337900 · 29337900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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
Hazards SummaryAn irritant; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UV1148100
- hs_code
- 29337900
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2(1H)-Pyridinone, 1-methyl-: ACTIVE
Applications
Uses1-Methyl-2-pyridone is used as a reactant in the trifluoromethylation of arenes and heteroarenes by means of photoredox catalysis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers85 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
绍兴久孚新材料科技有限公司0575-87095566 18067860628 · [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]
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阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海拓目化工有限公司13391076197 · [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]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
济南三元化工有限公司18615587029 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
南京科晟祥科技有限公司18252089365 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
南京江恒医药化工有限公司13951936332 18305166317 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
南京麦瑞米生物技术有限公司025-87782433 18021532344 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
Additional notes
DefinitionChEBI: 1-Methyl-2-pyridone is a pyridone.
Related reactions
26 records
Compound notes
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