2-Chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
Basic information
- CAS
883899-06-7- Standard SMILES
CC1(C)COB(c2cccc(Cl)c2C#N)OC1- InChIKey
DILJKRGCLPAOLL-UHFFFAOYSA-N- Molecular formula
- C12H13BClNO2
- Average molar mass
- 249.5 g/mol
- Monoisotopic mass
- 249.07278674
Names & identifiers
- Preferred name
- 2-Chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
- IUPAC
- 2-chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
- English name
- 3-CHLORO-2-CYANOPHENYLBORONIC ACID NEOPENTYL GLYCOL ESTER
- Molecular formula
- C12H13BClNO2
- Molecular weight
- 249.5
Names & synonyms
883899-06-72-chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile3-CHLORO-2-CYANOPHENYLBORONIC ACID NEOPENTYL GLYCOL ESTERMFCD086695603-Chloro-2-cyanophenylboronic acidneopentylglycolDTXSID40469612Benzonitrile, 2-chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-AKOS015999636AB45904BS-22884SY279673CS-0174393
Show more names
E90145F215948Benzonitrile,2-chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-y...Benzonitrile,2-chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-YL)-
Database identifiers
- CAS
883899-06-7- PubChem CID
- 11622931
- DTXSID
DTXSID40469612- Nikkaji
- J2.307.658F
Properties
Computed structural properties
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Boiling point
- 409 · 409.0±35.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2931900090 · 2931900090
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
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
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Compound notes
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