Basic information
- CAS
89488-30-2- Standard SMILES
Cc1cc(Br)c[nH]c1=O- InChIKey
HXPMRPRBABWPKL-UHFFFAOYSA-N- Molecular formula
- C6H6BrNO
- Average molar mass
- 188.02 g/mol
- Monoisotopic mass
- 186.96327591
Names & identifiers
- Preferred name
- 5-Bromo-2-hydroxy-3-methylpyridine
- IUPAC
- 5-bromo-3-methyl-1H-pyridin-2-one
- English name
- 5-Bromo-2-hydroxy-3-picoline
- Molecular formula
- C6H6BrNO
- Molecular weight
- 188.02
Names & synonyms
5-Bromo-2-hydroxy-3-methylpyridineDTXSID70301314RefChem:533235DTXCID20252448624-831-989488-30-25-bromo-3-methylpyridin-2-ol5-Bromo-2-hydroxy-3-picoline5-Bromo-3-methylpyridin-2(1H)-one5-bromo-3-methyl-1H-pyridin-2-one5-bromo-3-methyl-pyridin-2-olMFCD03427657
Show more names
5-Bromo-2-hydroxy-3-methyL2-HYDROXY-5-BROMO-3-PICOLINE2-Hydorxy-5-Bromo-3-Picoline5-Bromo-2-hydroxy-3-picoline,98%
5-bromo-2-hydroxy-3-methyl pyridine5-Bromo-3-methyl-2-pyridinol2(1H)-PYRIDINONE, 5-BROMO-3-METHYL-5-Bromo-3-methyl-2-pyridoneNSC1423145-BROMO-3-METHYL-2-HYDROXYPYRIDINESCHEMBL590523SCHEMBL650675
Database identifiers
- CAS
89488-30-2- PubChem CID
- 285436
- DTXSID
DTXSID70301314- EC Number
- 624-831-9
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 170 · 170-174 °C(lit.)
- Boiling point
- 295.1 · 295.1±40.0 °C(Predicted)
- Density
- 1.5296 · 1.5296 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble in Methanol
- pka
- 10.55 · 10.55±0.10(Predicted)
- form
- Solid
- color
- Off-white
- InChI
- 1S/C6H6BrNO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H3,(H,8,9)
- InChIKey
- HXPMRPRBABWPKL-UHFFFAOYSA-N
- SMILES
- Cc1cc(Br)cnc1O
- CAS DataBase Reference
- 89488 · 89488-30-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
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
Danger
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 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 (97.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29337900
- risk_code
- 22-38-41-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Harmful
- safety_code
- 36/37/39-36-26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Uses5-Bromo-3-methylpyridin-2(1H)-one is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Upstream & downstream products
Upstream raw materials
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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Related reactions
15 records
Compound notes
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