Basic information
- Standard SMILES
O=c1[nH]cccc1Br- InChIKey
YDUGVOUXNSWQSW-UHFFFAOYSA-N- Molecular formula
- C5H4BrNO
- Average molar mass
- 174 g/mol
- Monoisotopic mass
- 172.94762585
Names & identifiers
- Preferred name
- 3-Bromo-2-hydroxypyridine
- IUPAC
- 3-bromo-1H-pyridin-2-one
- English name
- 3-Bromo-2-hydroxypyridine
- Molecular formula
- C5H4BrNO
- Molecular weight
- 174
Names & synonyms
3-Bromo-2-hydroxypyridine13466-43-83-bromo-2(1H)-pyridinoneDTXSID30355959RefChem:498471DTXCID70307018626-942-83-bromopyridin-2-ol3-BROMOPYRIDIN-2(1H)-ONE3-bromo-1H-pyridin-2-one3-Bromo-2-pyridinolMFCD03411569
Show more names
3-bromo-1,2-dihydropyridin-2-one3-BROMO-2-PYRIDONEIFLAB-BB F1371-01743-Bromo-2(1H)-pyridone3-bromo pyridin-2H -one2-hydro-3-bromo pyridine
bromopyridone3-bromopyridone3-Bromo-pyridin-2-ol3-bromo-1H-2-pyridoneSCHEMBL118163AKOS022381261HY-W003045SY008491
Database identifiers
- CAS
13466-43-8- PubChem CID
- 818549
- DTXSID
DTXSID30355959- EC Number
- 626-942-8
- Nikkaji
- J761.739I
Properties
Computed structural properties
- XLogP
- 1.1
- 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
- 179 · 179-183 °C
- Boiling point
- 336.6 · 336.6±42.0 °C(Predicted)
- Density
- 1.776 · 1.776±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.53 · 10.53±0.10(Predicted)
- form
- Crystalline Powder
- color
- White to off-white
- Water Solubility
- Slightly soluble in water.
- BRN
- 109846 · 109846
- InChI
- InChI=1S/C5H4BrNO/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
- InChIKey
- YDUGVOUXNSWQSW-UHFFFAOYSA-N
- SMILES
- C1(=O)NC=CC=C1Br
- CAS DataBase Reference
- 13466 · 13466-43-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 36 · 36/37/38-41-37/38-22
- Safety Statements
- 26 · 26-36-39
- WGK Germany
- 3 · 3
- HS Code
- 29337900 · 29337900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (89.1%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 29337900
- risk_code
- 36/37/38-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36-39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Uses3-Bromo-2-hydroxypyridine is used in the synthesis of pyrazolopyridines as γ-secratase modulators.
Uses3-Bromo-2-hydroxypyridine is sued as an active ingredient pharmaceuticals, in medicine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
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Related reactions
24 records
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