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CAS Number: 39061-97-7
4-chloro-3-nitroquinoline

Structure

4-chloro-3-nitroquinoline
Name: 4-chloro-3-nitroquinoline
Synonyms:
General Information
Product Number: 39061977

CAS Registry Number 39061-97-7
Name:
Quinoline, 4-?chloro-?3-?nitro-
3-Nitro-4-chloroquinoline
4-Chloro-3-nitroquinoline

 

Chemical Formula: C9H5ClN2O2
Exact Mass: 208.00
Molecular Weight: 208.60
m/z: 208.00 (100.0%), 210.00 (32.0%), 209.01 (9.9%), 211.00 (3.3%)

 

InChI:InChI=1S/C9H5ClN2O2/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14/h1-5H

InChI Key:ZRFUZDDJSQVQBY-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=C(C=N2)[N+](=O)[O-])Cl

 

Thermal Properties Value Condition Note
Melting Point 121-122 °C Solv: ethyl ether (60-29-7) (2)CAS
Melting Point 120-124 °C   (3)IC
Melting Point 119-120 °C   (4)CAS
Melting Point 118-119 °C Solv: methanol (67-56-1) (5)CAS
Melting Point 118-119 °C   (6)CAS
Melting Point 115-117 °C Solv: methanol (67-56-1) (5)CAS

Specification

98%

References
  1. (2) Takahashi, Torizo; Yakugaku Zasshi 1952, V72, P1109-11 CAPLUS
  2. (3) Van Galen, Philip J. M.; Journal of Medicinal Chemistry 1991, V34(3), P1202-6 CAPLUS
  3. (4) Albert, Adrien; Journal of the Chemical Society 1948, P1284-95 CAPLUS
  4. (5) Ochiai, Eiji; Yakugaku Zasshi 1952, V72, P767-71 CAPLUS
  5. (6) Goeblyoes, Aniko; Journal of Medicinal Chemistry 2006, V49(11), P3354-3361 CAPLUS
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