Basic information
- Standard SMILES
COc1ccc(B(O)O)cn1- InChIKey
DHADXDMPEUWEAS-UHFFFAOYSA-N- Molecular formula
- C6H8BNO3
- Average molar mass
- 152.95 g/mol
- Monoisotopic mass
- 153.05972352
Names & identifiers
- Preferred name
- (6-Methoxypyridin-3-yl)boronic acid
- IUPAC
- (6-methoxy-3-pyridinyl)boronic acid
- English name
- 2-Methoxy-5-pyridineboronic acid
- Molecular formula
- C6H8BNO3
- Molecular weight
- 152.94
Names & synonyms
(6-methoxypyridin-3-yl)boronic AcidRefChem:405075672-299-1163105-89-32-Methoxy-5-pyridineboronic acid2-Methoxypyridine-5-boronic acid6-methoxypyridin-3-ylboronic acid2-methoxy-5-pyridinylboronic acid6-methoxypyridine-3-boronic acidMFCD020930446-methoxy-pyridine-3-boronic acidBORONIC ACID, B-(6-METHOXY-3-PYRIDINYL)-
Show more names
Sudan 455AKOS BRN-0148CAS:163105-89-32-Methoxy-5-pyridinePerampanel Impurity ZY12-Methoxy-5-pyridine acid2-Methoxy-5-pyridinylboronic2-Methoxy-5-pyridineboronicaci
6-METHOXY-3-PYRIDINYLBORONIC ACID6-Methoxy-3-pyridylboronic Acid6-methoxypyridin-3-yl-3-boronic acid2-methoxy-5-pyridine boronic acid(6-methoxypyridin-3-yl)boronicAcid(6-methoxy-pyridin-3-yl)-boronic acid6-METHOXY-3-PYRIDINEBORONIC ACIDBoronic acid, (6-methoxy-3-pyridinyl)-
Database identifiers
- CAS
163105-89-3- PubChem CID
- 2734368
- DTXSID
DTXSID80370258- ChEMBL
CHEMBL3236876- UNII
- YFU82Y97KF
- EC Number
- 672-299-1
- Nikkaji
- J1.751.338I
Properties
Computed structural properties
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 135 · 135-140 °C(lit.)
- Boiling point
- 313.2 · 313.2±52.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.26 · 7.26±0.10(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- Soluble in water.
- BRN
- 9119950 · 9119950
- InChI
- 1S/C6H8BNO3/c1-11-6-3-2-5(4-8-6)7(9)10/h2-4,9-10H,1H3
- InChIKey
- DHADXDMPEUWEAS-UHFFFAOYSA-N
- SMILES
- COc1ccc(cn1)B(O)O
- CAS DataBase Reference
- 163105 · 163105-89-3(CAS DataBase Reference)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xn,Xi
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 22 · 22-24/25-36/37/39-26-23
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- IRRITANT, AIR SENSITIVE, KEEP COLD
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (18.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 11 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 (18.2%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 22-24/25-36/37/39-26-23
- hazard_class
- IRRITANT, AIR SENSITIVE, KEEP COLD
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-Methoxypyridine-5-boronic acid is used in cosmetics, coatings candles.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
北京华美互利生物化工010-56205725 · [email protected]
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]
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Related reactions
341 records
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