Basic information
- CAS
850991-41-2- Standard SMILES
CC(C)Oc1cncc(B(O)O)c1- InChIKey
XQHUPBAXLPBXOT-UHFFFAOYSA-N- Molecular formula
- C8H12BNO3
- Average molar mass
- 181 g/mol
- Monoisotopic mass
- 181.0910234
Names & identifiers
- Preferred name
- (5-Isopropoxypyridin-3-yl)boronic acid
- IUPAC
- (5-propan-2-yloxy-3-pyridinyl)boronic acid
- English name
- 5-isopropoxypyridin-3-ylboronic acid
- Molecular formula
- C8H12BNO3
- Molecular weight
- 181
Names & synonyms
850991-41-2(5-Isopropoxypyridin-3-yl)boronic acid5-Isopropoxypyridine-3-boronic acid5-isopropoxypyridin-3-ylboronic acid(5-propan-2-yloxypyridin-3-yl)boronic acid(5-Isopropoxy-3-pyridinyl)boronic acid5-(ISOPROPOXY)PYRIDINE-3-BORONIC ACID(5-ISOPROPOXY-3-PYRIDYL)BORONIC ACIDMFCD15529675Boronic acid, [5-(1-methylethoxy)-3-pyridinyl]-(5-Isopropoxypyridin-3-yl)boronicacidBoronic acid, B-[5-(1-methylethoxy)-3-pyridinyl]-
Show more names
[5-(PROPAN-2-YLOXY)PYRIDIN-3-YL]BORONIC ACIDSCHEMBL2083713DTXSID40725467XQHUPBAXLPBXOT-UHFFFAOYSA-N5-Isopropoxy-3-pyridinylboronic acidAKOS0135252585-ISOPROPOXYPYRIDINE-3-BORONICACIDPS-13049
Database identifiers
- CAS
850991-41-2- PubChem CID
- 57415704
- DTXSID
DTXSID40725467
Properties
Computed structural properties
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 359.6 · 359.6±52.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- pka
- 3.72 · 3.72±0.10(Predicted)
- Appearance
- white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers32 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
郑州药领医药科技有限公司13526569071 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
郑州鸿尚科技有限公司0371-55932928 18937192232
南京世洲生物科技有限公司13675144456 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
Related reactions
2 records
Compound notes
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