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CAS Number: 863868-34-2
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalonitrile

Structure

 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalonitrile
Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalonitrile
Synonyms:
General Information
Product Number: 863868342

CAS Registry Number 863868-34-2
Name:
1,?3-?Benzenedicarbonitril?e, 5-?(4,?4,?5,?5-?tetramethyl-?1,?3,?2-?dioxaborolan-?2-?yl)?-

 

Chemical Formula: C14H15BN2O2
Exact Mass: 254.12
Molecular Weight: 254.09
m/z: 254.12 (100.0%), 253.13 (24.8%), 255.13 (15.8%), 254.13 (3.8%), 256.13 (1.5%)

 

InChI:InChI=1S/C14H15BN2O2/c1-13(2)14(3,4)19-15(18-13)12-6-10(8-16)5-11(7-12)9-17/h5-7H,1-4H3

InChI Key:FAZFONAGXSBJMR-UHFFFAOYSA-N

Canonical SMILES:B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C#N)C#N

 

Thermal Properties Value Condition Note
Melting Point 45-47 °C Solv: ethyl acetate (141-78-6) (2)CAS

Specification

98%
References

(2) Fendt, Leslie-Anne; European Journal of Organic Chemistry 2007, (28), P4659-4673 CAPLUS
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