Basic information
- CAS
51279-53-9- Standard SMILES
Cc1cccc[n+]1[O-]- InChIKey
CFZKDDTWZYUZKS-UHFFFAOYSA-N- Molecular formula
- C6H7NO
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.05276385
Names & identifiers
- Preferred name
- 2-Methylpyridine 1-oxide
- IUPAC
- 2-methyl-1-oxidopyridin-1-ium
- English name
- 2-Picoline-N-oxide
- Molecular formula
- C6H7NO
- Molecular weight
- 109.13
Names & synonyms
2-Picoline-N-oxide931-19-12-Methylpyridine 1-oxide2-Methylpyridine N-oxidePicoline N-oxidealpha-Picoline N-oxide2-methyl-1-oxidopyridin-1-ium2-Picoline, 1-oxidePyridine, 2-methyl-, 1-oxidepicoline 1-oxidealpha-Picoline 1-oxidePicoline, 1-oxide
Show more names
2-picoline-oxide-Picoline N-oxidea-Picoline N-oxidea-Picoline 1-oxideAlfa picoline oxide2-Picoline-N-oxide,98%
2-Picoline 1-oxide2-Methylpyridine-1-oxide.alpha.-Picoline N-oxide.alpha.-Picoline 1-oxideG41PJ47D1I1-OXYLATO-2-METHYLPYRIDINIUMEINECS 213-230-3NSC 18253
Database identifiers
- CAS
51279-53-9、931-19-1- PubChem CID
- 13602
- DTXSID
DTXSID1029207- ChEMBL
CHEMBL3186013- ChEBI
CHEBI:35578- UNII
- G41PJ47D1I
- EC Number
- 213-230-3
- Nikkaji
- J31.405F
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74
Physicochemical properties
- Melting point
- 41 · 41-45 °C(lit.)
- Boiling point
- 259 · 259-261 °C
- Density
- 1.1143 · 1.1143 (rough estimate)
- refractive index
- 1.5444 · 1.5444 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- RT, stored under nitrogen
- pka
- 1 · pK1:1.029(+1) (25°C)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow
- Water Solubility
- soluble
- Sensitive
- Hygroscopic
- BRN
- 106916 · 106916
- InChI
- InChI=1S/C6H7NO/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
- InChIKey
- CFZKDDTWZYUZKS-UHFFFAOYSA-N
- SMILES
- C1(C)[N+]([O-])=CC=CC=1
- CAS DataBase Reference
- 931 · 931-19-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 41 PJ47D1I · G41PJ47D1I
- NIST Chemistry Reference
- 2 · Pyridine, 2-methyl-, 1-oxide(931-19-1)
- EPA Substance Registry System
- 2 · 2-Methylpyridine-1-oxide (931-19-1)
- 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
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,Xn,F
- Risk Statements
- 36 · 36/37/38-20/21/22-10
- Safety Statements
- 26 · 26-36-24/25-16
- WGK Germany
- 3 · 3
- F
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (10.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (91.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (10.9%)；Skin Irrit. 2 (91.3%)；Eye Irrit. 2 (100%)；STOT SE 3 (89.1%)
Safety data
- F
- 3
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333990
- risk_code
- 36/37/38-20/21/22-10
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn,F
- safety_code
- 26-36-24/25-16
- 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
Uses & manufacturing
General Manufacturing InformationPyridine, 2-methyl-, 1-oxide: ACTIVE
Applications
Uses2-Picoline N-oxide is used in proteomics research. Also used as pharmaceutical intermediates.
Upstream & downstream products
Downstream products
Suppliers100 total
河北凡博医药科技有限公司15588346797
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [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]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
安徽德信佳生物医药有限公司0531-82375818 15064153060 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [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]
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]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
苏州安尼康药物研发有限公司0512-69369885 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
北京华扬致成科技有限公司13716033033 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
Additional notes
DefinitionChEBI: Picoline N-oxide is a member of methylpyridines and a member of pyridine N-oxides.
Related reactions
28 records
Compound notes
Loading…