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CAS Number: 33533-99-2
6-chloro-4H-chromen-4-one

Structure

6-chloro-4H-chromen-4-one
Name: 6-chloro-4H-chromen-4-one
Synonyms:
General Information
Product Number: 33533992

CAS Registry Number 33533-99-2
Name:
4H-​1-​Benzopyran-​4-​one, 6-​chloro-
Chromone, 6-chloro- (6CI,8CI)
6-Chloro-4H-4-chromenone
6-Chlorochromone

 

Chemical Formula: C9H5ClO2
Exact Mass: 180.00
Molecular Weight: 180.59
m/z: 180.00 (100.0%), 181.99 (32.0%), 181.00 (9.9%), 183.00 (3.2%)

 

InChI:InChI=1S/C9H5ClO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H

InChI Key:VFZQATFTQAZCMO-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Cl)C(=O)C=CO2

 

Thermal Properties Value Condition Note
Melting Point 140 °C   (4)CAS
Melting Point 140 °C   (5)IC
Melting Point 139-140 °C Solv: ethanol (64-17-5) (6)CAS
Melting Point 138-140 °C   (4)CAS
Melting Point 138 °C   (7)CAS
Melting Point See full text   (8)CAS
Melting Point See full text   (9)CAS

Specification

98%

References
  1. (4) Karmakar, Partha; Journal of Chemical Research 2008, (4), P208-211 CAPLUS
  2. (5) Ghosh, Chandra Kanta; Synthesis 1981, (9), P719-21 CAPLUS
  3. (6) Ruhemann, S.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1921, V54B, P912-24 CAPLUS
  4. (7) Ghosh, Tarun; Journal of Chemical Research 2007, (3), P190-192 CAPLUS
  5. (8) Joshi, P. P.; Journal of the Indian Chemical Society 1959, V36, P59-63 CAPLUS
  6. (9) Prakash, Om; Journal of the Indian Chemical Society 2004, V81(10), P888-890 CAPLUS
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