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CAS Number: 23082-51-1
1-(4-chloro-2-nitrophenyl)ethanone

Structure

 1-(4-chloro-2-nitrophenyl)ethanone
Name: 1-(4-chloro-2-nitrophenyl)ethanone
Synonyms:
General Information
Product Number: 23082511

CAS Registry Number 23082-51-1
Name:
Ethanone, 1-?(4-?chloro-?2-?nitrophenyl)?-
Acetophenone, 4'-chloro-2'-nitro- (7CI,8CI)
1-(4-Chloro-2-nitrophenyl)ethanone
4'-Chloro-2'-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/c1-5(11)7-3-2-6(9)4-8(7)10(12)13/h2-4H,1H3

InChI Key:PUUYGMZERWRIDS-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 157 °C Press: 9 Torr (1)CAS
Melting Point 57-58 °C   (3)CAS
Melting Point 55-56 °C   (4)CAS
Melting Point 54-56 °C   (5)CAS
Melting Point 44 °C   (1)CAS

Specification

98%
References
  1. (1) Leonard, Nelson J.; Journal of Organic Chemistry 1946, V11, P405-18 CAPLUS
  2. (3) Kovendi, Alexander; Chemische Berichte 1964, V97(7), P1902-9 CAPLUS
  3. (4) Atkinson, C. M.; Journal of the Chemical Society 1947, P232-7 CAPLUS
  4. (5) Perrine, Theodore D.; Journal of Organic Chemistry 1949, V14, P583-92 CAPLUS
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