Basic information
- CAS
17282-02-9- Standard SMILES
Cc1c[nH]c(=O)c(Br)c1- InChIKey
KHBRMXVUQOVORD-UHFFFAOYSA-N- Molecular formula
- C6H6BrNO
- Average molar mass
- 188.02 g/mol
- Monoisotopic mass
- 186.96328
Names & identifiers
- Preferred name
- 3-Bromo-2-hydroxy-5-methylpyridine
- IUPAC
- 3-bromo-5-methyl-1H-pyridin-2-one
- English name
- 3-BROMO-2-HYDROXY-5-METHYLPYRIDINE
- Molecular formula
- C6H6BrNO
- Molecular weight
- 188.02
Names & synonyms
17282-02-93-Bromo-2-hydroxy-5-methylpyridineDTXSID00395569RefChem:277321DTXCID30346428623-885-03-bromo-5-methylpyridin-2-ol3-Bromo-5-methylpyridin-2(1H)-one3-bromo-5-methyl-1H-pyridin-2-oneMFCD037913123-BROMO-5-METHYL-2(1H)-PYRIDINONE3-Bromo-5-methyl-2-pyridinol
Show more names
3-Bromo-2-hydroxy-5-picolineTIMTEC-BB SBB0036795-Bromo-2-hydroxy-3-picoline2-HYDROXY-3-BROMO-5-PICOLINE3-bromo-5-methyl-2(1H)-pyridone3-Bromo-5-methyl-2-pyridone >3-BROMO-5-METHYL-2(1H)-PYRIDINONE
AKOS015891790AB16221FS-3429SY0191763-Bromo-2-hydroxy-5-methylpyridine, 97%3-Bromo-5-methyl-pyridin-2-ol2(1H)-Pyridinone, 3-bromo-5-methyl-3-Bromo-5-methyl-2-pyridone
Database identifiers
- CAS
17282-02-9- PubChem CID
- 3725261
- DTXSID
DTXSID00395569- EC Number
- 623-885-0
- Nikkaji
- J3.151.646C
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
- 78 · 78-82 °C (lit.)
- Boiling point
- 324 · 324.0±42.0 °C(Predicted)
- Density
- 1.622 · 1.622±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 10.95 · 10.95±0.10(Predicted)
- form
- powder to crystal
- color
- White to Orange to Green
- BRN
- 1423374 · 1423374
- InChI
- 1S/C6H6BrNO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9)
- InChIKey
- KHBRMXVUQOVORD-UHFFFAOYSA-N
- SMILES
- Cc1cnc(O)c(Br)c1
- CAS DataBase Reference
- 17282 · 17282-02-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
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 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (85.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (12.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (87.2%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (85.1%)；Eye Irrit. 2 (12.8%)；STOT SE 3 (97.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 1993
- hs_code
- 29333990
- risk_code
- 22-37/38-41-36/37/38
- Signal word
- Danger
- Symbol(GHS)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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]
宁波振岳医药科技有限公司19817745290 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Related reactions
8 records
Compound notes
Loading…