Basic information
- CAS
269410-03-9- Standard SMILES
CC1(C)OB(c2ccc(C(=O)c3ccccc3)cc2)OC1(C)C- InChIKey
AKQXNDKEDAWVMZ-UHFFFAOYSA-N- Molecular formula
- C19H21BO3
- Average molar mass
- 308.2 g/mol
- Monoisotopic mass
- 308.1583747
Names & identifiers
- Preferred name
- Phenyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
- IUPAC
- phenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
- English name
- 4-(Phenylcarbonyl)phenylboronic acid, pinacol ester
- Molecular formula
- C19H21BO3
- Molecular weight
- 308.18
Names & synonyms
269410-03-9phenyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanonephenyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanoneDTXSID50478836RefChem:861690DTXCID504296464-(PHENYLCARBONYL)PHENYLBORONIC ACID, PINACOL ESTERMFCD067956532-(4-BENZOYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANEphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanoneC19H21BO3phenyl)methanone
Show more names
4-Benzoylbenzeneboronic acid pinacol esterphenyl(4-(4,4,5,5-tetramethyl -1,3,2- dioxaborolan-2-yl) phenyl)methanoneMethanone, phenyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-PHENYL-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE-2-YL)-PHENYL]-METHANONE
4-(Phenylcarbonyl)phenylboronic acid pinacol esterdioxaborolan-2-yl)SCHEMBL5800648AKQXNDKEDAWVMZ-UHFFFAOYSA-Nphenyl(4-(4,4,5,5-tetramethylUKA41003AKOS015960135AB29175
Properties
Computed structural properties
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Melting point
- 75 · 75-76 °C
- Boiling point
- 432.6 · 432.6±28.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C19H21BO3/c1-18(2)19(3,4)23-20(22-18)16-12-10-15(11-13-16)17(21)14-8-6-5-7-9-14/h5-13H,1-4H3
- InChIKey
- AKQXNDKEDAWVMZ-UHFFFAOYSA-N
- SMILES
- B3(OC(C(O3)(C)C)(C)C)c1ccc(cc1)C(=O)c2ccccc2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- WGK Germany
- 3 · 3
Safety & regulation
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H312-H332
- Hazard Classifications
- Aquatic Chronic 4
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Suppliers29 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
郑州萃智医药科技有限公司19943855286 · [email protected]
Related reactions
2 records
Compound notes
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