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CAS Number: 99-47-8
2-chloro-1-(3-nitrophenyl)ethanone

Structure

 2-chloro-1-(3-nitrophenyl)ethanone
Name: 2-chloro-1-(3-nitrophenyl)ethanone
Synonyms:
General Information
Product Number: 99478

CAS Registry Number 99-47-8
Name:
Ethanone, 2-?chloro-?1-?(3-?nitrophenyl)?-
Acetophenone, 2-chloro-3'-nitro- (6CI,7CI,8CI)
2-Chloro-1-(3-nitrophenyl)ethanone
2-Chloro-3'-nitroacetophenone
α-Chloro-3'-nitroacetophenone
α-Chloro-m-nitroacetophenone

 

Chemical Formula: C8H6ClNO3
Exact Mass: 199.00
Molecular Weight: 199.59
m/z: 199.00 (100.0%), 201.00 (32.0%), 200.01 (8.8%), 202.00 (2.9%)

 

InChI:InChI=1S/C8H6ClNO3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4H,5H2

InChI Key:LBHUVZXFCGZYDL-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CCl

 

Thermal Properties Value Condition Note
Melting Point 97 °C   (5)CAS
Melting Point 96-98 °C Solv: ethyl ether (60-29-7) (3)CAS
Melting Point See full text   (6)CAS

Specification

98%
References
  1. (3) El-Ahl, Abdel Aziz S.; Synthetic Communications 2011, V41(10), P1508-1513 CAPLUS
  2. (5) Dale, R. T.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1927, V60B, P1026-7 CAPLUS
  3. (6) Xu, Zijin; Synthetic Communications 2006, V36(2), P255-258 CAPLUS
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