Basic information
- CAS
4214-79-3- Standard SMILES
O=c1ccc(Cl)c[nH]1- InChIKey
SZFUWUOHDRMCKD-UHFFFAOYSA-N- Molecular formula
- C5H4ClNO
- Average molar mass
- 129.54 g/mol
- Monoisotopic mass
- 128.9981414
Overview
structure in first source
Names & identifiers
- Preferred name
- 5-Chloro-2-pyridone
- IUPAC
- 5-chloro-1H-pyridin-2-one
- English name
- 5-Chloro-2-hydroxypyridine
- Molecular formula
- C5H4ClNO
- Molecular weight
- 129.54
Names & synonyms
5-Chloro-2-pyridoneRefChem:5346345-Chloro-2-hydroxypyridine4214-79-35-Chloropyridin-2-ol5-Chloro-2-pyridinol5-chloropyridin-2(1H)-one2-Hydroxy-5-chloropyridine2(1H)-Pyridinone, 5-chloro-5-chloro-1H-pyridin-2-one5-Chloro-2(1H)-pyridinone5-Chloro-2-pyridol
Show more names
5-Chloro-2-pyridinol,99%5-Chloro-1,2-dihydropyridine-2-oneChlopidolchloropyridinol5-Chlorpyridin-2-ol5-CHLORO-PYRIDIN-2-OL
5-chloro-1,2-dihydropyridin-2-oneMFCD00006275R7A6F5D3KY13466-36-9ST0930595-chloropyridine-2-olEINECS 224-146-1UNII-R7A6F5D3KY
Database identifiers
- CAS
4214-79-3- PubChem CID
- 77889
- DTXSID
DTXSID1022215- ChEMBL
CHEMBL4535875- UNII
- R7A6F5D3KY
- EC Number
- 224-146-1
- Nikkaji
- J225.002K
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
- 171
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 163 · 163-165 °C(lit.)
- Boiling point
- 290.7 · 290.7±40.0 °C(Predicted)
- Density
- 1.2309 · 1.2309 (rough estimate)
- refractive index
- 1.451 · 1.4510 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 9.96 · 9.96±0.10(Predicted)
- color
- White to Orange to Green
- BRN
- 2020 · 2020
- InChI
- 1S/C5H4ClNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
- InChIKey
- SZFUWUOHDRMCKD-UHFFFAOYSA-N
- SMILES
- Oc1ccc(Cl)cn1
- CAS DataBase Reference
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 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29337900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- 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
Applications
Uses5-chloro-2-hydroxypyridine (5-Chloro-2-pyridinol) was used to study the effect of dicumarol on xanthine dehydrogenase and mechanism of mitomycin C bioreduction by xanthine dehydrogenase.
General Description5-chloro-2-hydroxypyridine acts as donor ligand and exists in zwitterionic form, i.e. 5-chloropyridinium-2-olate in copper complexes.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
武汉欣扬瑞和化学科技有限公司
Related reactions
7 records
Compound notes
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