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CAS Number: 19477-73-7
6-bromoisobenzofuran-1(3H)-one

Structure

6-bromoisobenzofuran-1(3H)-one
Name: 6-bromoisobenzofuran-1(3H)-one
Synonyms:
General Information
Product Number: 19477737

CAS Registry Number 19477-73-7
Name:
1(3H)?-?Isobenzofuranone, 6-?bromo-
Phthalide, 6-bromo- (8CI)
6-Bromo-1,3-dihydro-1-isobenzofuranone
6-Bromo-3H-isobenzofuran-1-one
6-Bromoisobenzofuran-1(3H)-one
6-Bromophthalide

 

Chemical Formula: C8H5BrO2
Exact Mass: 211.95
Molecular Weight: 213.03
m/z: 211.95 (100.0%), 213.95 (98.0%), 212.95 (8.8%), 214.95 (8.6%)

 

InChI:InChI=1S/C8H5BrO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2

InChI Key:BELKVKMBIAENSA-UHFFFAOYSA-N

Canonical SMILES:C1C2=C(C=C(C=C2)Br)C(=O)O1

 

Thermal Properties Value Condition Note
Melting Point 114-115 °C Solv: ethanol (64-17-5); water (7732-18-5) (3)CAS
Melting Point 99.5 °C   (4)CAS
Melting Point 96-98 °C   (5)CAS
Melting Point 96 °C Solv: cyclohexane (110-82-7) (6)CAS

Specification

98%

References
  1. (3) Pokhodylo, N. T.; Chemistry of Heterocyclic Compounds (New York, NY, United States) 2010, V46(2), P140-145 CAPLUS
  2. (4) Tirouflet, Jean; Bull. soc sci. Bretagne Spec. 1951, VNo. 26, P45-8 CAPLUS
  3. (5) Rajsner, Miroslav; Collection of Czechoslovak Chemical Communications 1967, V32(8), P2854-66 CAPLUS
  4. (6) Schefczik, Ernst; DE 1266310 1968 CAPLUS
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