Basic information
- CAS
1402240-42-9- Standard SMILES
Cc1cn(-c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)cn1- InChIKey
KTJPJCJXCLRXJL-UHFFFAOYSA-N- Molecular formula
- C14H19BN4O2
- Average molar mass
- 286.14 g/mol
Names & identifiers
- Preferred name
- 2-(4-Methyl-1H-imidazol-1-YL)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pyrimidine
- IUPAC
- 2-(4-methylimidazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
- English name
- 2-(4-MethyliMidazol-1-yl)pyriMidine-5-boronic acid, pinacol ester
- Molecular formula
- C14H19BN4O2
- Molecular weight
- 286.14
Names & synonyms
1402240-42-92-(4-Methylimidazol-1-yl)pyrimidine-5-boronic acid, pinacol ester2-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDINEMFCD166188812-(4-methylimidazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine2-(4-Methylimidazol-1-yl)pyrimidine-5-boronic acid pinacol esterC14H19BN4O2AKOS015941901BS-26873CS-0178878Pyrimidine, 2-(4-methyl-1H-imidazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Database identifiers
- CAS
1402240-42-9
Properties
Computed structural properties
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 483.5 · 483.5±37.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 4.87 · 4.87±0.61(Predicted)
- form
- solid
- InChI
- 1S/C14H19BN4O2/c1-10-8-19(9-18-10)12-16-6-11(7-17-12)15-20-13(2,3)14(4,5)21-15/h6-9H,1-5H3
- InChIKey
- KTJPJCJXCLRXJL-UHFFFAOYSA-N
- SMILES
- CC1=CN(C2=NC=C(B3OC(C)(C(C)(O3)C)C)C=N2)C=N1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Storage Class
- 11 · 11 - Combustible Solids
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
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers7 total
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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