Basic information
- Standard SMILES
O=c1ccc(Br)c[nH]1- InChIKey
NDMZZQRNZFWMEZ-UHFFFAOYSA-N- Molecular formula
- C5H4BrNO
- Average molar mass
- 174 g/mol
- Monoisotopic mass
- 172.94762585
Names & identifiers
- Preferred name
- 5-Bromo-2-hydroxypyridine
- IUPAC
- 5-bromo-1H-pyridin-2-one
- English name
- 2-Hydroxy-5-bromopyridine
- Molecular formula
- C5H4BrNO
- Molecular weight
- 174
Names & synonyms
13466-38-15-Bromo-2-hydroxypyridineDTXSID80344792RefChem:533258DTXCID90295867629-311-55-bromopyridin-2-ol5-bromopyridin-2(1H)-one2-Hydroxy-5-bromopyridine5-bromo-1H-pyridin-2-one49843-23-45-Bromo-2(1H)-pyridinone
Show more names
5-Bromopyridin-2-one5-Bromo-2-hydroxypyrdine
5-bromo-1,2-dihydropyridin-2-one5-Bromo-2(1H)-pyridone2(1H)-Pyridinone, 5-bromo-5-Bromo-2-pyridone5-Bromo-2-pyridinolMFCD00234042MLS0000846592-pyridinol, 5-bromo-
Database identifiers
- CAS
13466-38-1- PubChem CID
- 599528
- DTXSID
DTXSID80344792- ChEMBL
CHEMBL1362250- UNII
- RE6SK2UTT5
- EC Number
- 629-311-5
- Nikkaji
- J1.658.755I
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
Physicochemical properties
- Melting point
- 180 · 180-183 °C(lit.)
- Boiling point
- 305.9 · 305.9±42.0 °C(Predicted)
- Density
- 1.776 · 1.776±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 9.96 · 9.96±0.10(Predicted)
- form
- Crystalline Powder
- color
- Off-white to yellow-brown
- BRN
- 108751 · 108751
- InChI
- InChI=1S/C5H4BrNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
- InChIKey
- NDMZZQRNZFWMEZ-UHFFFAOYSA-N
- SMILES
- C1(=O)NC=C(Br)C=C1
- CAS DataBase Reference
- 13466 · 13466-38-1(CAS DataBase Reference)
- 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
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-36-22
- Safety Statements
- 26 · 26-37/39-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (85.7%): 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (85.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- 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
Applications
Uses5-Bromopyridin-2-ol is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
General Description5-Bromo-2(1H)-pyridone undergoes difluormethylation in the presence of sodium chlorodifluoroacetate (ClCF2COONa) and methyl cyanide.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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