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CAS Number: 50329-91-4
4-chloro-2-oxo-2H-chromene-3-carbaldehyde

Structure

 4-chloro-2-oxo-2H-chromene-3-carbaldehyde
Name: 4-chloro-2-oxo-2H-chromene-3-carbaldehyde
Synonyms:
General Information
Product Number: 50329914

CAS Registry Number 50329-91-4
Name:
2H-?1-?Benzopyran-?3-?carboxaldehyde, 4-?chloro-?2-?oxo-
4-Chloro-2-oxo-2H-1-benzopyran-3-carboxaldehyde
3-Formyl-4-chlorocoumarin
4-Chloro-2-oxo-2H-chromene-3-carbaldehyde
4-Chloro-2-oxo-2H-chromene-3-carboxaldehyde
4-Chloro-3-formylcoumarin

 

Chemical Formula: C10H5ClO3
Exact Mass: 207.99
Molecular Weight: 208.60
m/z: 207.99 (100.0%), 209.99 (32.0%), 209.00 (11.0%), 210.99 (3.5%), 210.00 (1.2%)

 

InChI:InChI=1S/C10H5ClO3/c11-9-6-3-1-2-4-8(6)14-10(13)7(9)5-12/h1-5H

InChI Key:CLLLQUGVEQADNN-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=C(C(=O)O2)C=O)Cl

 

Thermal Properties Value Condition Note
Melting Point 120-122 °C Solv: acetone (67-64-1); water (7732-18-5) (4)CAS
Melting Point 115-120 °C Solv: acetone (67-64-1) (2)CAS
Melting Point 115-120 °C Solv: acetone (67-64-1) (3)CAS
Melting Point 115 °C   (5)CAS
Melting Point 115 °C Solv: ethanol (64-17-5) (6)CAS

Specification

98%
References
  1. (2) Sabetie, Andrea; ARKIVOC (Gainesville, FL, United States) [online computer file] 2001, (6), P122-128 CAPLUS
  2. (3) Hamdi, Naceur; Medicinal Chemistry Research 2011, V20(4), P522-530 CAPLUS
  3. (4) Strakova, I.; Chemistry of Heterocyclic Compounds (New York, NY, United States)(Translation of Khimiya Geterotsiklicheskikh Soedinenii) 2003, V39(12), P1608-1616 CAPLUS
  4. (5) Dawara, Latika; Applied Organometallic Chemistry 2011, V25(9), P643-652 CAPLUS
  5. (6) Rehman, Saeed U.; Journal of Enzyme Inhibition and Medicinal Chemistry 2005, V20(4), P333-340 CAPLUS
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