Basic information
- CAS
74115-12-1- Standard SMILES
Oc1cncc(Cl)c1- InChIKey
TUIDQYRZDZRHPQ-UHFFFAOYSA-N- Molecular formula
- C5H4ClNO
- Average molar mass
- 129.54 g/mol
- Monoisotopic mass
- 128.99814143
Overview
5-Chloropyridin-3-ol is a hydroxypyridine.
Names & identifiers
- Preferred name
- 3-Hydroxy-5-chloropyridine
- IUPAC
- 5-chloropyridin-3-ol
- English name
- 5-Chloro-3-pyridinol
- Molecular formula
- C5H4ClNO
- Molecular weight
- 129.54
Names & synonyms
5-Chloro-3-hydroxypyridine5-Chloropyridin-3-ol74115-12-15-Chloro-3-pyridinol3-Pyridinol, 5-chloro-3-Hydroxy-5-chloropyridineDTXSID90225063927G6VJ94VEINECS 277-727-7TUIDQYRZDZRHPQ-UHFFFAOYSA-RefChem:502463DTXCID90147554
Show more names
BUTTPARK 145\04-825-Chloro-3-pyridineol5-Chloro-3-pyridinol,99%5-CHLORO-3-PYRIDINOL 99%
277-727-7InChI=1/C5H4ClNO/c6-4-1-5(8)3-7-2-4/h1-3,8H3-Chloro-5-hydroxypyridineMFCD000063795chloro-3-pyridinolCHEBI:194653CS-W011114FG-0438
Database identifiers
- CAS
74115-12-1- PubChem CID
- 582305
- DTXSID
DTXSID90225063- ChEBI
CHEBI:194653- UNII
- 927G6VJ94V
- EC Number
- 277-727-7
- Nikkaji
- J236.375E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78.8
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 160 · 160-162 °C (lit.)
- Boiling point
- 324.7 · 324.7±22.0 °C(Predicted)
- Density
- 1.2309 · 1.2309 (rough estimate)
- refractive index
- 1.451 · 1.4510 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- pka
- 8.37 · 8.37±0.10(Predicted)
- color
- Light yellow to Brown
- Water Solubility
- Soluble in water.
- BRN
- 1422550 · 1422550
- InChI
- 1S/C5H4ClNO/c6-4-1-5(8)3-7-2-4/h1-3,8H
- InChIKey
- TUIDQYRZDZRHPQ-UHFFFAOYSA-N
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 47 reports by companies from 7 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
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39
- 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-3-hydroxypyridine is used in the preparation of 4-(5-chloropyridin-3-yloxy)isoquinoline
General Description5-Chloro-3-hydroxypyridine undergoes Suzuki-Miyaura cross-coupling with 3-pyridylboronic acid in the presence of Pd catalyst to yield hydroxybiphenyls.
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]
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
Related reactions
127 records
Compound notes
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