Basic information
- CAS
1310384-94-1- Standard SMILES
COc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)c1[N+](=O)[O-]- InChIKey
ZWZSQJVUWDRQAD-UHFFFAOYSA-N- Molecular formula
- C13H19BN2O5
- Average molar mass
- 294.11 g/mol
- Monoisotopic mass
- 294.1387019
Names & identifiers
- Preferred name
- 2-Methoxy-4-methyl-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- IUPAC
- 2-methoxy-4-methyl-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- English name
- 2-Methoxy-4-Methyl-3-nitro-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridine
- Molecular formula
- C13H19BN2O5
- Molecular weight
- 294.11
Names & synonyms
1310384-94-12-Methoxy-4-methyl-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineMFCD08063067Pyridine, 2-methoxy-4-methyl-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-C13H19BN2O5SCHEMBL20517756DTXSID606945052-Methoxy-4-methyl-3-nitropyridine-5-boronic acid pinacol ester6-Methoxy-4-methyl-5-nitropyridine-3-boronic acid pinacol esterKCC38494AKOS015949999FD10371
Show more names
CS-0308614EN300-12576263F718552Z2044750096(6-Methoxy-4-methyl-5-nitropyridin-3-yl)boronic Acid Pinacol Ester2-Methoxy-4-methyl-3-nitro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine2-METHOXY-4-METHYL-3-NITRO-5-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
Database identifiers
- CAS
1310384-94-1- PubChem CID
- 53398554
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Boiling point
- 406.5 · 406.5±45.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 0 · 0.00±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers12 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [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]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
无锡迈默拓普生物科技有限公司15061806929 · [email protected]
上海梦蓝医药科技有限公司13062660007 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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