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CAS Number: 18640-58-9
1-(4-bromo-3-nitrophenyl)ethanone

Structure

1-(4-bromo-3-nitrophenyl)ethanone
Name: 1-(4-bromo-3-nitrophenyl)ethanone
Synonyms:
General Information
Product Number: 18640589

CAS Registry Number 18640-58-9
Name:
Ethanone, 1-​(4-​bromo-​3-​nitrophenyl)​-
Acetophenone, 4'-bromo-3'-nitro- (6CI,7CI,8CI)
1-(4-Bromo-3-nitrophenyl)ethanone
3'-Nitro-4'-bromoacetophenone
4'-Bromo-3'-nitroacetophenone
NSC 111656

 

Chemical Formula: C8H6BrNO3
Exact Mass: 242.95
Molecular Weight: 244.04
m/z: 242.95 (100.0%), 244.95 (97.3%), 243.96 (8.8%), 245.95 (8.8%)

 

InChI:InChI=1S/C8H6BrNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3

InChI Key:YFVOFFKNHQTQQE-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 118-120 °C   (6)CAS
Melting Point 118-120 °C   (7)IC
Melting Point 117-119 °C   (8)CAS
Melting Point 116.5 °C Solv: methanol (67-56-1) (9)CAS
Melting Point 116-117 °C   (10)CAS

Specification

98%

References
  1. (6) Oelschlaeger, Herbert; DE 1168917 1964 CAPLUS
  2. (7) Pasaribu, Stephanus J.; Australian Journal of Chemistry 1975, V28(5), P1023-30 CAPLUS
  3. (8) Oelschlager, Herbert; Annalen der Chemie, Justus Liebigs 1961, V641, P81-94 CAPLUS
  4. (9) Borsche, W.; Berichte der Deutschen Chemischen Gesellschaft 1916, V49, P2222-43 CAPLUS
  5. (10) Cauquil, Germaine; Bulletin de la Societe Chimique de France 1955, P768-83 CAPLUS
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