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CAS Number: 99853-21-1
6-bromo-2,2-dimethylchroman-4-one

Structure

6-bromo-2,2-dimethylchroman-4-one
Name: 6-bromo-2,2-dimethylchroman-4-one
Synonyms:
General Information
Product Number: 99853211

CAS Registry Number 99853-21-1
Name:
4H-?1-?Benzopyran-?4-?one, 6-?bromo-?2,?3-?dihydro-?2,?2-?dimethyl-
4-Chromanone, 6-bromo-2,2-dimethyl- (6CI)
6-Bromo-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one
6-Bromo-2,2-dimethyl-4-chromanone

 

Chemical Formula: C11H11BrO2
Exact Mass: 253.99
Molecular Weight: 255.11
m/z: 253.99 (100.0%), 255.99 (97.3%), 255.00 (12.1%), 257.00 (11.8%), 256.00 (1.1%), 258.00 (1.0%)

 

InChI:InChI=1S/C11H11BrO2/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5H,6H2,1-2H3

InChI Key:KMLKUNVLSWKFLA-UHFFFAOYSA-N

Canonical SMILES:CC1(CC(=O)C2=C(O1)C=CC(=C2)Br)C

 

Thermal Properties Value Condition Note
Melting Point 105-106 °C Solv: ligroine (8032-32-4) (1)CAS

Specification

98%

References

(1) Livingstone, R.; Journal of the Chemical Society 1960, P3094-8 CAPLUS

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