Basic information
- CAS
824-40-8- Standard SMILES
O=C(O)c1cccc[n+]1[O-]- InChIKey
FHYMLBVGNFVFBT-UHFFFAOYSA-N- Molecular formula
- C6H5NO3
- Average molar mass
- 139.11 g/mol
- Monoisotopic mass
- 139.02694302
Overview
Picolinic acid N-oxide is a member of pyridines and an aromatic carboxylic acid.
Names & identifiers
- Preferred name
- Pyridine-2-carboxylic acid 1-oxide
- IUPAC
- 1-oxidopyridin-1-ium-2-carboxylic acid
- English name
- Picolinic acid N-oxide
- Molecular formula
- C6H5NO3
- Molecular weight
- 139.11
Names & synonyms
Picolinic acid N-oxide824-40-8Pyridine-2-carboxylic acid 1-oxide2-carboxypyridine-N-oxideDTXSID40231715EINECS 212-528-0RefChem:870734DTXCID70154206NSC 27961212-528-02-carboxypyridin-1-ium-1-olatePicolinic acid 1-oxide
Show more names
Picolinate N-oxidepicolinicacid-oxideTIMTEC-BB SBB004183RARECHEM AL BO 1646Picolinic acid, 1-oxide.2-PICOLINIC ACID-N-OXIDE
2-Carboxypyridine 1-Oxide1-oxidopyridin-1-ium-2-carboxylic acidMFCD000061982-Carboxypyridine N-oxidePyridine-2-carboxylic acid N-oxide2-Pyridinecarboxylic acid, 1-oxide1-Oxopicolinic acidCHEMBL73173
Database identifiers
- CAS
824-40-8- PubChem CID
- 69986
- DTXSID
DTXSID40231715- ChEMBL
CHEMBL73173- ChEBI
CHEBI:169993
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 162 °C · 162 °C (dec.)(lit.)
- Boiling point
- 255.04 °C · 255.04°C (rough estimate)
- Density
- 1.4429 · 1.4429 (rough estimate)
- refractive index
- 1.5423 · 1.5423 (estimate)
- storage temp.
- RT, stored under nitrogen
- pka
- 1.57 · 1.57±0.50(Predicted)
- form
- Crystals or Crystalline Powder
- color
- White to beige
- InChI
- 1S/C6H5NO3/c8-6(9)5-3-1-2-4-7(5)10/h1-4H,(H,8,9)
- InChIKey
- FHYMLBVGNFVFBT-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cccc[n+]1[O-]
- CAS DataBase Reference
- 824 · 824-40-8(CAS DataBase Reference)
- FDA UNII
- 957 CD7S · PWQ957CD7S
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- 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
Upstream & downstream products
Downstream products
Suppliers51 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [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]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
2 records
Compound notes
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