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CAS Number: 39876-88-5
4-chlorobenzofuro[3,2-d]pyrimidine

Structure

4-chlorobenzofuro[3,2-d]pyrimidine
Name: 4-chlorobenzofuro[3,2-d]pyrimidine
Synonyms:
General Information
Product Number: 39876885
CAS Registry Number: 39876-88-5
Name:
        Benzofuro[3,​2-​d]​pyrimidine, 4-​chloro-
        4-​Chlorobenzofurano[3,​2-​d]​pyrimidine; 4-​Chlorobenzofuro[3,​2-​d]​pyrimidine 
 
Chemical Formula: C10H5ClN2O
Exact Mass: 204.01
Molecular Weight: 204.61
m/z: 204.01 (100.0%), 206.01 (32.2%), 205.01 (11.6%), 207.01 (3.5%)
Elemental Analysis: C, 58.70; H, 2.46; Cl, 17.33; N, 13.69; O, 7.82
 
InChI: InChI=1S/C10H5ClN2O/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5H
InChIKey: ABRHSRPOYMSBOI-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)Cl
 
Thermal Properties Value Condition Note
Melting Point 136 °C Solv: ethanol (64-17-5) (3)IC
Melting Point 135-138 °C Solv: cyclohexane (110-82-7) (2)IC

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Hirota, Takashi; Journal of Heterocyclic Chemistry 1991, V28(2), P263-7 CAPLUS
  3. (3) Sangapure, S. S.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1976, V14B(9), P688-91 CAPLUS
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