Basic information
- CAS
883899-03-4- Standard SMILES
CC1(C)COB(c2cccc(C(F)(F)F)c2C#N)OC1- InChIKey
DKAHRMRRZQOJPL-UHFFFAOYSA-N- Molecular formula
- C13H13BF3NO2
- Average molar mass
- 283.06 g/mol
- Monoisotopic mass
- 283.0991433
Names & identifiers
- Preferred name
- 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-6-(trifluoromethyl)benzonitrile
- IUPAC
- 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6-(trifluoromethyl)benzonitrile
- English name
- 2-Cyano-3-(trifluoromethyl)phenyl boronic acid neopentyl glycol ester
- Molecular formula
- C13H13BF3NO2
- Molecular weight
- 283.05
Names & synonyms
883899-03-42-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6-(trifluoromethyl)benzonitrile2-Cyano-3-(trifluoromethyl)phenylboronic acid neopentyl glycol ester2-CYANO-3-(TRIFLUOROMETHYL)PHENYL BORONIC ACID NEOPENTYL GLYCOL ESTERSCHEMBL2722288DTXSID10469629AB48268CS-04352232-Cyano-3-(trifluoromethyl)phenylboronic acid2-CYANO-3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID,NEOPENTYLBenzonitrile, 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6-(trifluoromethyl)-
Database identifiers
- CAS
883899-03-4- PubChem CID
- 11623335
- DTXSID
DTXSID10469629- Nikkaji
- J2.307.656J
Properties
Computed structural properties
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Boiling point
- 383.4 · 383.4±42.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(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 data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
Aladdin Scientific[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
1 records
Compound notes
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